AO-081/40846896
TL;DR: AO-081/40846896 (CAS 522662-07-3) is a chemical compound with molecular formula C20H22Cl2N2O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
Also Known As: AO-081/40846896, N-(3,4-dichlorobenzyl)-4-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide, N-[(3,4-dichlorophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide, N-(3,4-dichlorobenzyl)-4-methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
| Molecular Formula | C20H22Cl2N2O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.11512 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0728 |
| Heavy Atoms | 28 |
| Complexity | 955.91614 |
Chemical Identifiers
| CAS Number | 522662-07-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=C(C=C2)Cl)Cl)CC(=O)N3CCCC3 |
Product Overview
AO-081/40846896 (CAS 522662-07-3), with molecular formula C20H22Cl2N2O3S and molecular weight 440.07 g/mol. IUPAC: N-[(3,4-dichlorophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
Chemical Property Profile of AO-081/40846896
Property Insights of AO-081/40846896
The XLogP value of 4.11512 indicates that AO-081/40846896 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-081/40846896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40846896 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-081/40846896?
The CAS number of AO-081/40846896 is 522662-07-3.
What is the molecular formula of AO-081/40846896?
The molecular formula of AO-081/40846896 is C20H22Cl2N2O3S.
What is the molecular weight of AO-081/40846896?
The molecular weight of AO-081/40846896 is 440.07 g/mol.
Where can I buy AO-081/40846896?
You can request a quote for AO-081/40846896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40846896?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40846896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.