AB00684358-01
TL;DR: AB00684358-01 (CAS 391886-35-4) is a chemical compound with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00684358-01, F0475-0035, 2-fluoro-N-((4-(2-methoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide, 2-fluoro-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide, 2-fluoro-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C17H15FN4O2S |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.00759 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.08997 |
| Heavy Atoms | 25 |
| Complexity | 967.03174 |
Chemical Identifiers
| CAS Number | 391886-35-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3F |
Product Overview
AB00684358-01 (CAS 391886-35-4), with molecular formula C17H15FN4O2S and molecular weight 358.09 g/mol. IUPAC: 2-fluoro-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00684358-01
Property Insights of AB00684358-01
The XLogP value of 3.00759 indicates that AB00684358-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684358-01. Following Lipinski's Rule of Five, AB00684358-01 has 2 hydrogen bond donor(s) and 4 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 AB00684358-01?
The CAS number of AB00684358-01 is 391886-35-4.
What is the molecular formula of AB00684358-01?
The molecular formula of AB00684358-01 is C17H15FN4O2S.
What is the molecular weight of AB00684358-01?
The molecular weight of AB00684358-01 is 358.09 g/mol.
Where can I buy AB00684358-01?
You can request a quote for AB00684358-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684358-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684358-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.