AB00680456-01
TL;DR: AB00680456-01 (CAS 880801-46-7) is a chemical compound with molecular formula C17H18N6OS and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: AB00680456-01, F2649-0097, 2-(4-amino-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(3,5-dimethylphenyl)acetam ide, 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide, 2-{[4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C17H18N6OS |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 2.40154 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.12628 |
| Heavy Atoms | 25 |
| Complexity | 873.1586 |
Chemical Identifiers
| CAS Number | 880801-46-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3)C |
Product Overview
AB00680456-01 (CAS 880801-46-7), with molecular formula C17H18N6OS and molecular weight 354.13 g/mol. IUPAC: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of AB00680456-01
Property Insights of AB00680456-01
The XLogP value of 2.40154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00680456-01. The TPSA of 98.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680456-01. Following Lipinski's Rule of Five, AB00680456-01 has 2 hydrogen bond donor(s) and 6 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 AB00680456-01?
The CAS number of AB00680456-01 is 880801-46-7.
What is the molecular formula of AB00680456-01?
The molecular formula of AB00680456-01 is C17H18N6OS.
What is the molecular weight of AB00680456-01?
The molecular weight of AB00680456-01 is 354.13 g/mol.
Where can I buy AB00680456-01?
You can request a quote for AB00680456-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680456-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680456-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.