A3897/0165760
TL;DR: A3897/0165760 (CAS 728883-74-7) is a chemical compound with molecular formula C9H7F3N4O3 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-oxo-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Also Known As: A3897/0165760, methyl [7-oxo-2-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate, methyl [7-hydroxy-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate, methyl 2-[7-oxo-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate, (7-Oxo-2-trifluoromethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-acetic acid methyl ester
| Molecular Formula | C9H7F3N4O3 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 0.1519 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.04703 |
| Heavy Atoms | 19 |
| Complexity | 688.0552 |
Chemical Identifiers
| CAS Number | 728883-74-7 |
|---|---|
| SMILES | COC(=O)CC1=CC(=O)N2C(=N1)N=C(N2)C(F)(F)F |
Product Overview
A3897/0165760 (CAS 728883-74-7), with molecular formula C9H7F3N4O3 and molecular weight 276.05 g/mol. IUPAC: methyl 2-[7-oxo-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate.
Chemical Property Profile of A3897/0165760
Property Insights of A3897/0165760
The XLogP value of 0.1519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3897/0165760. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A3897/0165760. Following Lipinski's Rule of Five, A3897/0165760 has 1 hydrogen bond donor(s) and 5 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 A3897/0165760?
The CAS number of A3897/0165760 is 728883-74-7.
What is the molecular formula of A3897/0165760?
The molecular formula of A3897/0165760 is C9H7F3N4O3.
What is the molecular weight of A3897/0165760?
The molecular weight of A3897/0165760 is 276.05 g/mol.
Where can I buy A3897/0165760?
You can request a quote for A3897/0165760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3897/0165760?
Yes, KEHONG BIO provides custom synthesis services for A3897/0165760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.