CS-1005204
Sitagliptin Impurity 81
Manufacturer: ChemScene
CAS Number: 89124-06-1
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄H₆Cl₂N₂O₂
Molecular Weight
185.01
Synonyms
None
SMILES
O=C(NNC(=O)CCl)CCl
Tpsa
58.2
Logp
-0.3886
H Acceptors
2
H Donors
2
Rotatable Bonds
2
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₆Cl₂N₂O₂
Molecular Weight: 185.01
Synonyms: None
SMILES: O=C(NNC(=O)CCl)CCl
Tpsa: 58.2
Logp: -0.3886
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₆Cl₂N₂O₂
Molecular Weight:
185.01
Synonyms:
None
SMILES:
O=C(NNC(=O)CCl)CCl
Tpsa:
58.2
Logp:
-0.3886
H Acceptors:
2
H Donors:
2
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: C₄H₈N₂O₄
Molecular Weight: 148.12
Synonyms: None
SMILES: O=C(NCCON(=O)=O)C
Tpsa: 81.47
Logp: -0.6692
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₈N₂O₄
Molecular Weight:
148.12
Synonyms:
None
SMILES:
O=C(NCCON(=O)=O)C
Tpsa:
81.47
Logp:
-0.6692
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₁ClO₃
Molecular Weight: 154.59
Synonyms: None
SMILES: ClCOCOCCOC
Tpsa: 27.69
Logp: 0.8198
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₁ClO₃
Molecular Weight:
154.59
Synonyms:
None
SMILES:
ClCOCOCCOC
Tpsa:
27.69
Logp:
0.8198
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆O₆
Molecular Weight: 316.31
Synonyms: None
SMILES: O=C1C=2C(O[C@@H](C1)C3=CC(OC)=C(OC)C=C3)=CC(O)=CC2O
Tpsa: 85.22
Logp: 2.8215
H Acceptors: 6
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:
C₁₇H₁₆O₆
Molecular Weight:
316.31
Synonyms:
None
SMILES:
O=C1C=2C(O[C@@H](C1)C3=CC(OC)=C(OC)C=C3)=CC(O)=CC2O
Tpsa:
85.22
Logp:
2.8215
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3