F2649-0053
TL;DR: F2649-0053 (CAS 586986-65-4) 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-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: F2649-0053, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide, N-(4-acetamidophenyl)-2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(pyridin-3-yl)-4H-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 | 586986-65-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
F2649-0053 (CAS 586986-65-4), with molecular formula C17H17N7O2S and molecular weight 383.12 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of F2649-0053
Property Insights of F2649-0053
The XLogP value of 1.7431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2649-0053. The TPSA of 127.82 Ų falls within the moderate polarity range, balancing permeability and solubility for F2649-0053. Following Lipinski's Rule of Five, F2649-0053 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 F2649-0053?
The CAS number of F2649-0053 is 586986-65-4.
What is the molecular formula of F2649-0053?
The molecular formula of F2649-0053 is C17H17N7O2S.
What is the molecular weight of F2649-0053?
The molecular weight of F2649-0053 is 383.12 g/mol.
Where can I buy F2649-0053?
You can request a quote for F2649-0053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2649-0053?
Yes, KEHONG BIO provides custom synthesis services for F2649-0053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.