AB00738457-01
TL;DR: AB00738457-01 (CAS 475054-93-4) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: AB00738457-01, [(2-methoxy-5-methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 2.91602 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 749.1204 |
Chemical Identifiers
| CAS Number | 475054-93-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
AB00738457-01 (CAS 475054-93-4), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of AB00738457-01
Property Insights of AB00738457-01
The XLogP value of 2.91602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00738457-01. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00738457-01. Following Lipinski's Rule of Five, AB00738457-01 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 AB00738457-01?
The CAS number of AB00738457-01 is 475054-93-4.
What is the molecular formula of AB00738457-01?
The molecular formula of AB00738457-01 is C17H18N2O4S.
What is the molecular weight of AB00738457-01?
The molecular weight of AB00738457-01 is 346.10 g/mol.
Where can I buy AB00738457-01?
You can request a quote for AB00738457-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00738457-01?
Yes, KEHONG BIO provides custom synthesis services for AB00738457-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.