AO-081/40671569
TL;DR: AO-081/40671569 (CAS 496950-40-4) is a chemical compound with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide
Also Known As: AO-081/40671569, N-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide, N-cyclohexyl-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]benzenesulfonamide, N-cyclohexyl-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]benzenesulfonamide
| Molecular Formula | C23H28N2O3S |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 3.5949 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.18207 |
| Heavy Atoms | 29 |
| Complexity | 953.0981 |
Chemical Identifiers
| CAS Number | 496950-40-4 |
|---|---|
| SMILES | C1CCC(CC1)N(CC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
AO-081/40671569 (CAS 496950-40-4), with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol. IUPAC: N-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of AO-081/40671569
Property Insights of AO-081/40671569
The XLogP value of 3.5949 indicates that AO-081/40671569 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-081/40671569 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40671569 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-081/40671569?
The CAS number of AO-081/40671569 is 496950-40-4.
What is the molecular formula of AO-081/40671569?
The molecular formula of AO-081/40671569 is C23H28N2O3S.
What is the molecular weight of AO-081/40671569?
The molecular weight of AO-081/40671569 is 412.18 g/mol.
Where can I buy AO-081/40671569?
You can request a quote for AO-081/40671569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40671569?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40671569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.