AO-081/40800033
TL;DR: AO-081/40800033 (CAS 431909-20-5) is a chemical compound with molecular formula C19H20ClNO3S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AO-081/40800033, ethyl 2-[(3-chloro-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-chloro-4-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(3-chloro-4-methylphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H20ClNO3S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 5.01772 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.08524 |
| Heavy Atoms | 25 |
| Complexity | 828.31696 |
Chemical Identifiers
| CAS Number | 431909-20-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C(C=C3)C)Cl |
Product Overview
AO-081/40800033 (CAS 431909-20-5), with molecular formula C19H20ClNO3S and molecular weight 377.09 g/mol. IUPAC: ethyl 2-[(3-chloro-4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AO-081/40800033
Property Insights of AO-081/40800033
The XLogP value of 5.01772 indicates that AO-081/40800033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AO-081/40800033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40800033 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40800033?
The CAS number of AO-081/40800033 is 431909-20-5.
What is the molecular formula of AO-081/40800033?
The molecular formula of AO-081/40800033 is C19H20ClNO3S.
What is the molecular weight of AO-081/40800033?
The molecular weight of AO-081/40800033 is 377.09 g/mol.
Where can I buy AO-081/40800033?
You can request a quote for AO-081/40800033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40800033?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40800033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.