A2977/0125479
TL;DR: A2977/0125479 (CAS 671763-69-2) is a chemical compound with molecular formula C20H22N8O3S and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide
Also Known As: A2977/0125479, N-(4-ethylphenyl)-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-ethylphenyl)-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, N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide
| Molecular Formula | C20H22N8O3S |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 0.9145 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.15356 |
| Heavy Atoms | 32 |
| Complexity | 1428.3087 |
Chemical Identifiers
| CAS Number | 671763-69-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CN2C(=NC=N2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C |
Product Overview
A2977/0125479 (CAS 671763-69-2), with molecular formula C20H22N8O3S and molecular weight 454.15 g/mol. IUPAC: N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide.
Chemical Property Profile of A2977/0125479
Property Insights of A2977/0125479
The XLogP value of 0.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2977/0125479. The TPSA of 121.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A2977/0125479. Following Lipinski's Rule of Five, A2977/0125479 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 A2977/0125479?
The CAS number of A2977/0125479 is 671763-69-2.
What is the molecular formula of A2977/0125479?
The molecular formula of A2977/0125479 is C20H22N8O3S.
What is the molecular weight of A2977/0125479?
The molecular weight of A2977/0125479 is 454.15 g/mol.
Where can I buy A2977/0125479?
You can request a quote for A2977/0125479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2977/0125479?
Yes, KEHONG BIO provides custom synthesis services for A2977/0125479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.