Sitagliptin keto amide
TL;DR: Sitagliptin keto amide (CAS 764667-65-4) is a chemical compound with molecular formula C16H12F6N4O2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione
Also Known As: Sitagliptin keto amide, Sitagliptin Impurity 13, rac-Sitagliptin 3-Ketone, Sitagliptin Impurity 4, 1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
| Molecular Formula | C16H12F6N4O2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.2583 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.08646 |
| Heavy Atoms | 28 |
| Complexity | 939.94617 |
Chemical Identifiers
| CAS Number | 764667-65-4 |
|---|---|
| SMILES | C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(=O)CC3=CC(=C(C=C3F)F)F |
Product Overview
Sitagliptin keto amide (CAS 764667-65-4), with molecular formula C16H12F6N4O2 and molecular weight 406.09 g/mol. IUPAC: 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione.
Chemical Property Profile of Sitagliptin keto amide
Property Insights of Sitagliptin keto amide
The XLogP value of 2.2583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitagliptin keto amide. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitagliptin keto amide. Following Lipinski's Rule of Five, Sitagliptin keto amide has 0 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 keto amide?
The CAS number of Sitagliptin keto amide is 764667-65-4.
What is the molecular formula of Sitagliptin keto amide?
The molecular formula of Sitagliptin keto amide is C16H12F6N4O2.
What is the molecular weight of Sitagliptin keto amide?
The molecular weight of Sitagliptin keto amide is 406.09 g/mol.
Where can I buy Sitagliptin keto amide?
You can request a quote for Sitagliptin keto amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitagliptin keto amide?
Yes, KEHONG BIO provides custom synthesis services for Sitagliptin keto amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.