AB00685732-01
TL;DR: AB00685732-01 (CAS 442865-53-4) is a chemical compound with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: AB00685732-01, F1174-3211, AF-399/40920991, diethyl 5-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)isophthalate, 1,3-diethyl 5-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]benzene-1,3-dicarboxylate
| Molecular Formula | C25H24N4O5S |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 4.27512 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.14673 |
| Heavy Atoms | 35 |
| Complexity | 1396.1727 |
Chemical Identifiers
| CAS Number | 442865-53-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C)C(=O)OCC |
Product Overview
AB00685732-01 (CAS 442865-53-4), with molecular formula C25H24N4O5S and molecular weight 492.15 g/mol. IUPAC: diethyl 5-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AB00685732-01
Property Insights of AB00685732-01
The XLogP value of 4.27512 indicates that AB00685732-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685732-01. Following Lipinski's Rule of Five, AB00685732-01 has 1 hydrogen bond donor(s) and 8 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 AB00685732-01?
The CAS number of AB00685732-01 is 442865-53-4.
What is the molecular formula of AB00685732-01?
The molecular formula of AB00685732-01 is C25H24N4O5S.
What is the molecular weight of AB00685732-01?
The molecular weight of AB00685732-01 is 492.15 g/mol.
Where can I buy AB00685732-01?
You can request a quote for AB00685732-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685732-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685732-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.