AB00684569-01
TL;DR: AB00684569-01 (CAS 689747-79-3) is a chemical compound with molecular formula C20H18F2N4O3S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00684569-01, F0601-0027, ethyl 2-((5-((2-fluorobenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(4-fluorophenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C20H18F2N4O3S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 3.1307 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.10678 |
| Heavy Atoms | 30 |
| Complexity | 1040.7858 |
Chemical Identifiers
| CAS Number | 689747-79-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3F |
Product Overview
AB00684569-01 (CAS 689747-79-3), with molecular formula C20H18F2N4O3S and molecular weight 432.11 g/mol. IUPAC: ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00684569-01
Property Insights of AB00684569-01
The XLogP value of 3.1307 indicates that AB00684569-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684569-01. Following Lipinski's Rule of Five, AB00684569-01 has 1 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 AB00684569-01?
The CAS number of AB00684569-01 is 689747-79-3.
What is the molecular formula of AB00684569-01?
The molecular formula of AB00684569-01 is C20H18F2N4O3S.
What is the molecular weight of AB00684569-01?
The molecular weight of AB00684569-01 is 432.11 g/mol.
Where can I buy AB00684569-01?
You can request a quote for AB00684569-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684569-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684569-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.