AB00685708-01
TL;DR: AB00685708-01 (CAS 315707-60-9) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00685708-01, AF-399/15335149, F1174-0098, ethyl 4-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 4.09842 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1234.5874 |
Chemical Identifiers
| CAS Number | 315707-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C |
Product Overview
AB00685708-01 (CAS 315707-60-9), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: ethyl 4-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00685708-01
Property Insights of AB00685708-01
The XLogP value of 4.09842 indicates that AB00685708-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685708-01. Following Lipinski's Rule of Five, AB00685708-01 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 AB00685708-01?
The CAS number of AB00685708-01 is 315707-60-9.
What is the molecular formula of AB00685708-01?
The molecular formula of AB00685708-01 is C22H20N4O3S.
What is the molecular weight of AB00685708-01?
The molecular weight of AB00685708-01 is 420.13 g/mol.
Where can I buy AB00685708-01?
You can request a quote for AB00685708-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685708-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685708-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.