CS-1004835
Pemetrexed Impurity 41
Manufacturer: ChemScene
CAS Number: 778-29-0
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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
C₁₁H₁₄O₃S
Molecular Weight
226.29
Synonyms
None
SMILES
O=S(=O)(OCCC=C)C1=CC=C(C=C1)C
Tpsa
43.37
Logp
2.27642
H Acceptors
3
H Donors
0
Rotatable Bonds
5
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
1325
Class
4.1
Packing Group
Ⅲ
Hazard Statements
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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: C₁₁H₁₄O₃S
Molecular Weight: 226.29
Synonyms: None
SMILES: O=S(=O)(OCCC=C)C1=CC=C(C=C1)C
Tpsa: 43.37
Logp: 2.27642
H Acceptors: 3
H Donors: 0
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:
C₁₁H₁₄O₃S
Molecular Weight:
226.29
Synonyms:
None
SMILES:
O=S(=O)(OCCC=C)C1=CC=C(C=C1)C
Tpsa:
43.37
Logp:
2.27642
H Acceptors:
3
H Donors:
0
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: C₂₁H₂₄O₅
Molecular Weight: 356.41
Synonyms: None
SMILES: O=C(OCC1=CC=C(OC)C=C1)CC2=CC=C(OC3OCCCC3)C=C2
Tpsa: 53.99
Logp: 3.8865
H Acceptors: 5
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:
C₂₁H₂₄O₅
Molecular Weight:
356.41
Synonyms:
None
SMILES:
O=C(OCC1=CC=C(OC)C=C1)CC2=CC=C(OC3OCCCC3)C=C2
Tpsa:
53.99
Logp:
3.8865
H Acceptors:
5
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: C₂₃H₂₈ClN₇O₄S
Molecular Weight: 534.03
Synonyms: None
SMILES: N(C(=O)C1=NC2=C(S1)CNCC2)[C@H]3[C@@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa: 145.42
Logp: 0.9474
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₈ClN₇O₄S
Molecular Weight:
534.03
Synonyms:
None
SMILES:
N(C(=O)C1=NC2=C(S1)CNCC2)[C@H]3[C@@H](NC(C(NC4=CC=C(Cl)C=N4)=O)=O)CC[C@H](C(N(C)C)=O)C3
Tpsa:
145.42
Logp:
0.9474
H Acceptors:
8
H Donors:
4
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: C₁₄H₂₃ClN₂O
Molecular Weight: 270.80
Synonyms: None
SMILES: Cl.O=C(NC=1C=C(C=C(C1)C)C)CN(CC)CC
Tpsa: 32.34
Logp: 3.00554
H Acceptors: 2
H Donors: 1
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:
C₁₄H₂₃ClN₂O
Molecular Weight:
270.80
Synonyms:
None
SMILES:
Cl.O=C(NC=1C=C(C=C(C1)C)C)CN(CC)CC
Tpsa:
32.34
Logp:
3.00554
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5