CS-1002434
(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic acid
Manufacturer: ChemScene
CAS Number: 2001052-00-0
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₃F₂N₃O₃
Molecular Weight
297.26
Synonyms
None
SMILES
[C@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa
88.24
Logp
1.1648
H Acceptors
5
H Donors
2
Rotatable Bonds
5
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃F₂N₃O₃
Molecular Weight: 297.26
Synonyms: None
SMILES: [C@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa: 88.24
Logp: 1.1648
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃F₂N₃O₃
Molecular Weight:
297.26
Synonyms:
None
SMILES:
[C@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa:
88.24
Logp:
1.1648
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₅H₇₄O₂₈
Molecular Weight: 1183.16
Synonyms: None
SMILES: C(O[C@@H]1O[C@H](COC(/C=C/C2=CC(OC)=C(O)C(OC)=C2)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]3O
Tpsa: 435.96
Logp: -3.2381
H Acceptors: 28
H Donors: 14
Rotatable Bonds: 23
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₅H₇₄O₂₈
Molecular Weight:
1183.16
Synonyms:
None
SMILES:
C(O[C@@H]1O[C@H](COC(/C=C/C2=CC(OC)=C(O)C(OC)=C2)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]3O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]3O
Tpsa:
435.96
Logp:
-3.2381
H Acceptors:
28
H Donors:
14
Rotatable Bonds:
23
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂O₃
Molecular Weight: 310.39
Synonyms: None
SMILES: C(C(C[C@H](C(OCC)=O)C)=O)C1=CC=C(C=C1)C2=CC=CC=C2
Tpsa: 43.37
Logp: 4.0545
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂O₃
Molecular Weight:
310.39
Synonyms:
None
SMILES:
C(C(C[C@H](C(OCC)=O)C)=O)C1=CC=C(C=C1)C2=CC=CC=C2
Tpsa:
43.37
Logp:
4.0545
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₅
Molecular Weight: 237.21
Synonyms: None
SMILES: O=C(O)C=1C=CC=C(NC(=O)C)C1C(=O)OC
Tpsa: 92.7
Logp: 1.1298
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₅
Molecular Weight:
237.21
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=C(NC(=O)C)C1C(=O)OC
Tpsa:
92.7
Logp:
1.1298
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3