CS-1001633
Linagliptin Impurity 127
Manufacturer: ChemScene
CAS Number: 1528636-36-3
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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
C₃₁H₅₁ClO₁₀SSi₃
Molecular Weight
735.51
Synonyms
None
SMILES
O(C)[C@@]1([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COS(=O)(=O)O)O1)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa
118.98
Logp
7.0072
H Acceptors
9
H Donors
1
Rotatable Bonds
15
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₃₁H₅₁ClO₁₀SSi₃
Molecular Weight: 735.51
Synonyms: None
SMILES: O(C)[C@@]1([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COS(=O)(=O)O)O1)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 118.98
Logp: 7.0072
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₁ClO₁₀SSi₃
Molecular Weight:
735.51
Synonyms:
None
SMILES:
O(C)[C@@]1([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COS(=O)(=O)O)O1)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
118.98
Logp:
7.0072
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈O₄
Molecular Weight: 180.16
Synonyms: None
SMILES: O=CC1=CC(=CC=C1O)CC(=O)O
Tpsa: 74.6
Logp: 0.8318
H Acceptors: 3
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:
C₉H₈O₄
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=CC1=CC(=CC=C1O)CC(=O)O
Tpsa:
74.6
Logp:
0.8318
H Acceptors:
3
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: C₁₃H₁₁NOS₂
Molecular Weight: 261.36
Synonyms: None
SMILES: O=C1NC(=S)SC1=CC(=CC=2C=CC=CC2)C
Tpsa: 29.1
Logp: 3.1217
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁NOS₂
Molecular Weight:
261.36
Synonyms:
None
SMILES:
O=C1NC(=S)SC1=CC(=CC=2C=CC=CC2)C
Tpsa:
29.1
Logp:
3.1217
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NOS
Molecular Weight: 169.24
Synonyms: None
SMILES: N#CCC1(CSC(=O)C)CC1
Tpsa: 40.86
Logp: 1.95998
H Acceptors: 3
H Donors: 0
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:
C₈H₁₁NOS
Molecular Weight:
169.24
Synonyms:
None
SMILES:
N#CCC1(CSC(=O)C)CC1
Tpsa:
40.86
Logp:
1.95998
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3