A2977/0125476
TL;DR: A2977/0125476 (CAS 672901-79-0) is a chemical compound with molecular formula C18H17FN8O3S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide
Also Known As: A2977/0125476, N-(4-fluorophenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide, N-(4-fluorophenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide, N-(4-fluorophenyl)-2-(5-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-1H-1,2,4-triazol-1-yl)acetamide
| Molecular Formula | C18H17FN8O3S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 0.4912 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.11282 |
| Heavy Atoms | 31 |
| Complexity | 1416.837 |
Chemical Identifiers
| CAS Number | 672901-79-0 |
|---|---|
| SMILES | CN1C2=C(N=C1SC3=NC=NN3CC(=O)NC4=CC=C(C=C4)F)N(C(=O)N(C2=O)C)C |
Product Overview
A2977/0125476 (CAS 672901-79-0), with molecular formula C18H17FN8O3S and molecular weight 444.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide.
Chemical Property Profile of A2977/0125476
Property Insights of A2977/0125476
The XLogP value of 0.4912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2977/0125476. The TPSA of 121.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A2977/0125476. Following Lipinski's Rule of Five, A2977/0125476 has 1 hydrogen bond donor(s) and 7 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 A2977/0125476?
The CAS number of A2977/0125476 is 672901-79-0.
What is the molecular formula of A2977/0125476?
The molecular formula of A2977/0125476 is C18H17FN8O3S.
What is the molecular weight of A2977/0125476?
The molecular weight of A2977/0125476 is 444.11 g/mol.
Where can I buy A2977/0125476?
You can request a quote for A2977/0125476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2977/0125476?
Yes, KEHONG BIO provides custom synthesis services for A2977/0125476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.