Sitagliptin EP Impurity B
TL;DR: Sitagliptin EP Impurity B (CAS 1345822-87-8) is a chemical compound with molecular formula C16H16F5N5O and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
Also Known As: Sitagliptin EP Impurity B, Sitagliptin Analog 13, des-F-sitagliptin, Desfluorositagliptin, Sitagliptin defuoro impurity 5
| Molecular Formula | C16H16F5N5O |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 1.8774 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1275 |
| Heavy Atoms | 27 |
| Complexity | 850.2119 |
Chemical Identifiers
| CAS Number | 1345822-87-8 |
|---|---|
| SMILES | C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=C(C=CC(=C3)F)F)N |
Product Overview
Sitagliptin EP Impurity B (CAS 1345822-87-8), with molecular formula C16H16F5N5O and molecular weight 389.13 g/mol. IUPAC: (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.
Chemical Property Profile of Sitagliptin EP Impurity B
Property Insights of Sitagliptin EP Impurity B
The XLogP value of 1.8774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitagliptin EP Impurity B. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitagliptin EP Impurity B. Following Lipinski's Rule of Five, Sitagliptin EP Impurity B has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitagliptin EP Impurity B?
The CAS number of Sitagliptin EP Impurity B is 1345822-87-8.
What is the molecular formula of Sitagliptin EP Impurity B?
The molecular formula of Sitagliptin EP Impurity B is C16H16F5N5O.
What is the molecular weight of Sitagliptin EP Impurity B?
The molecular weight of Sitagliptin EP Impurity B is 389.13 g/mol.
Where can I buy Sitagliptin EP Impurity B?
You can request a quote for Sitagliptin EP Impurity B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitagliptin EP Impurity B?
Yes, KEHONG BIO provides custom synthesis services for Sitagliptin EP Impurity B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.