AO-081/42858681
TL;DR: AO-081/42858681 (CAS 825596-78-9) is a chemical compound with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
Also Known As: AO-081/42858681, N-benzyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide, N-benzyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzenesulfonamide
| Molecular Formula | C27H31N3O4S |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 3.54332 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.20352 |
| Heavy Atoms | 35 |
| Complexity | 1241.9327 |
Chemical Identifiers
| CAS Number | 825596-78-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
AO-081/42858681 (CAS 825596-78-9), with molecular formula C27H31N3O4S and molecular weight 493.20 g/mol. IUPAC: N-benzyl-2-methoxy-5-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
Chemical Property Profile of AO-081/42858681
Property Insights of AO-081/42858681
The XLogP value of 3.54332 indicates that AO-081/42858681 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/42858681. Following Lipinski's Rule of Five, AO-081/42858681 has 0 hydrogen bond donor(s) and 5 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-081/42858681?
The CAS number of AO-081/42858681 is 825596-78-9.
What is the molecular formula of AO-081/42858681?
The molecular formula of AO-081/42858681 is C27H31N3O4S.
What is the molecular weight of AO-081/42858681?
The molecular weight of AO-081/42858681 is 493.20 g/mol.
Where can I buy AO-081/42858681?
You can request a quote for AO-081/42858681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/42858681?
Yes, KEHONG BIO provides custom synthesis services for AO-081/42858681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.