AO-081/41130424
TL;DR: AO-081/41130424 (CAS 593255-83-5) is a chemical compound with molecular formula C24H22ClFN2O3S and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
Also Known As: AO-081/41130424, 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide, 4-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(2-fluorobenzyl)benzenesulfonamide
| Molecular Formula | C24H22ClFN2O3S |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 4.2549 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.10236 |
| Heavy Atoms | 32 |
| Complexity | 1232.0016 |
Chemical Identifiers
| CAS Number | 593255-83-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN(CC3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
AO-081/41130424 (CAS 593255-83-5), with molecular formula C24H22ClFN2O3S and molecular weight 472.10 g/mol. IUPAC: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
Chemical Property Profile of AO-081/41130424
Property Insights of AO-081/41130424
The XLogP value of 4.2549 indicates that AO-081/41130424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, AO-081/41130424 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41130424 has 0 hydrogen bond donor(s) and 3 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 AO-081/41130424?
The CAS number of AO-081/41130424 is 593255-83-5.
What is the molecular formula of AO-081/41130424?
The molecular formula of AO-081/41130424 is C24H22ClFN2O3S.
What is the molecular weight of AO-081/41130424?
The molecular weight of AO-081/41130424 is 472.10 g/mol.
Where can I buy AO-081/41130424?
You can request a quote for AO-081/41130424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41130424?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41130424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.