AB00680461-01
TL;DR: AB00680461-01 (CAS 577985-27-4) is a chemical compound with molecular formula C17H17N7O2S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB00680461-01, F2649-0116, 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide, N-(4-acetamidophenyl)-2-((4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C17H17N7O2S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 1.7431 |
| Topological Polar Surface Area | 127.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.11646 |
| Heavy Atoms | 27 |
| Complexity | 941.6756 |
Chemical Identifiers
| CAS Number | 577985-27-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3 |
Product Overview
AB00680461-01 (CAS 577985-27-4), with molecular formula C17H17N7O2S and molecular weight 383.12 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00680461-01
Property Insights of AB00680461-01
The XLogP value of 1.7431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680461-01. The TPSA of 127.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680461-01. Following Lipinski's Rule of Five, AB00680461-01 has 3 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 AB00680461-01?
The CAS number of AB00680461-01 is 577985-27-4.
What is the molecular formula of AB00680461-01?
The molecular formula of AB00680461-01 is C17H17N7O2S.
What is the molecular weight of AB00680461-01?
The molecular weight of AB00680461-01 is 383.12 g/mol.
Where can I buy AB00680461-01?
You can request a quote for AB00680461-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680461-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680461-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.