CS-0914508
(R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,3,6-trifluorophenyl)butan-1-one phosphate
Manufacturer: ChemScene
CAS Number: 945261-50-7
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₅F₆N₅O
Molecular Weight
407.31
Synonyms
None
SMILES
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C(F)=CC=C3F)N)=O)CC2)=NN1
Tpsa
77.04
Logp
2.0165
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 945261-50-7 | 4,5-Desfluoro-2,3-difluoro sitagliptin | A2B Chem | -- |
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅F₆N₅O
Molecular Weight: 407.31
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C(F)=CC=C3F)N)=O)CC2)=NN1
Tpsa: 77.04
Logp: 2.0165
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₅F₆N₅O
Molecular Weight:
407.31
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C(F)=CC=C3F)N)=O)CC2)=NN1
Tpsa:
77.04
Logp:
2.0165
H Acceptors:
5
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: C₁₃H₁₉Br₂ClN₂
Molecular Weight: 398.56
Synonyms: None
SMILES: Cl.BrC=1C=C(Br)C(N)=C(C1)CNC2CCCCC2
Tpsa: 38.05
Logp: 4.6379
H Acceptors: 2
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:
C₁₃H₁₉Br₂ClN₂
Molecular Weight:
398.56
Synonyms:
None
SMILES:
Cl.BrC=1C=C(Br)C(N)=C(C1)CNC2CCCCC2
Tpsa:
38.05
Logp:
4.6379
H Acceptors:
2
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: C₁₄H₂₂BrClN₂
Molecular Weight: 333.69
Synonyms: None
SMILES: Cl.BrC1=CC=CC(=C1N)CN(C)C2CCCCC2
Tpsa: 29.26
Logp: 4.2176
H Acceptors: 2
H Donors: 1
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:
C₁₄H₂₂BrClN₂
Molecular Weight:
333.69
Synonyms:
None
SMILES:
Cl.BrC1=CC=CC(=C1N)CN(C)C2CCCCC2
Tpsa:
29.26
Logp:
4.2176
H Acceptors:
2
H Donors:
1
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: C₁₄H₂₀N₄O₄
Molecular Weight: 308.33
Synonyms: None
SMILES: O=C(NC1CCNCC1)C=2C=C(C(N)=CC2OCC)N(=O)=O
Tpsa: 119.52
Logp: 1.0575
H Acceptors: 6
H Donors: 3
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:
C₁₄H₂₀N₄O₄
Molecular Weight:
308.33
Synonyms:
None
SMILES:
O=C(NC1CCNCC1)C=2C=C(C(N)=CC2OCC)N(=O)=O
Tpsa:
119.52
Logp:
1.0575
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
5