AO-081/41133064
TL;DR: AO-081/41133064 (CAS 499112-66-2) is a chemical compound with molecular formula C22H27FN2O3S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-fluorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
Also Known As: AO-081/41133064, N-(2-fluorobenzyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide, N-[(2-fluorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide, N-(2-fluorobenzyl)-4-methyl-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]benzenesulfonamide, N-(2-fluorobenzyl)-4-methyl-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
| Molecular Formula | C22H27FN2O3S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 3.58352 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.17264 |
| Heavy Atoms | 29 |
| Complexity | 952.2776 |
Chemical Identifiers
| CAS Number | 499112-66-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CN(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
AO-081/41133064 (CAS 499112-66-2), with molecular formula C22H27FN2O3S and molecular weight 418.17 g/mol. IUPAC: N-[(2-fluorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of AO-081/41133064
Property Insights of AO-081/41133064
The XLogP value of 3.58352 indicates that AO-081/41133064 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-081/41133064 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41133064 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-081/41133064?
The CAS number of AO-081/41133064 is 499112-66-2.
What is the molecular formula of AO-081/41133064?
The molecular formula of AO-081/41133064 is C22H27FN2O3S.
What is the molecular weight of AO-081/41133064?
The molecular weight of AO-081/41133064 is 418.17 g/mol.
Where can I buy AO-081/41133064?
You can request a quote for AO-081/41133064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41133064?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41133064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.