AB00684568-01
TL;DR: AB00684568-01 (CAS 689747-64-6) is a chemical compound with molecular formula C21H21FN4O4S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00684568-01, F0601-0024, methyl 2-((4-(4-ethoxyphenyl)-5-((2-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[4-(4-ethoxyphenyl)-5-{[(2-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H21FN4O4S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.0002 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.12674 |
| Heavy Atoms | 31 |
| Complexity | 1055.7882 |
Chemical Identifiers
| CAS Number | 689747-64-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC=CC=C3F |
Product Overview
AB00684568-01 (CAS 689747-64-6), with molecular formula C21H21FN4O4S and molecular weight 444.13 g/mol. IUPAC: methyl 2-[[4-(4-ethoxyphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00684568-01
Property Insights of AB00684568-01
The XLogP value of 3.0002 indicates that AB00684568-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684568-01. Following Lipinski's Rule of Five, AB00684568-01 has 1 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 AB00684568-01?
The CAS number of AB00684568-01 is 689747-64-6.
What is the molecular formula of AB00684568-01?
The molecular formula of AB00684568-01 is C21H21FN4O4S.
What is the molecular weight of AB00684568-01?
The molecular weight of AB00684568-01 is 444.13 g/mol.
Where can I buy AB00684568-01?
You can request a quote for AB00684568-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684568-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684568-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.