AO-081/40681576
TL;DR: AO-081/40681576 (CAS 496952-30-8) is a chemical compound with molecular formula C26H32N4O4S and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
Also Known As: AO-081/40681576, N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide, N-[2-(2-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}hydrazino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)methanesulfonamide, (E)-N-(2-(2-((1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)hydrazinyl)-2-oxoethyl)-N-(2-methoxy-5-methylphenyl)methanesulfonamide, N-{2-[(2E)-2-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinyl]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)methanesulfonamide (non-preferred name)
| Molecular Formula | C26H32N4O4S |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 3.9443 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.21442 |
| Heavy Atoms | 35 |
| Complexity | 1370.3235 |
Chemical Identifiers
| CAS Number | 496952-30-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N(CC(=O)N/N=C/C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C)C)C)S(=O)(=O)C |
Product Overview
AO-081/40681576 (CAS 496952-30-8), with molecular formula C26H32N4O4S and molecular weight 496.21 g/mol. IUPAC: N-[(E)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of AO-081/40681576
Property Insights of AO-081/40681576
The XLogP value of 3.9443 indicates that AO-081/40681576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40681576. Following Lipinski's Rule of Five, AO-081/40681576 has 1 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-081/40681576?
The CAS number of AO-081/40681576 is 496952-30-8.
What is the molecular formula of AO-081/40681576?
The molecular formula of AO-081/40681576 is C26H32N4O4S.
What is the molecular weight of AO-081/40681576?
The molecular weight of AO-081/40681576 is 496.21 g/mol.
Where can I buy AO-081/40681576?
You can request a quote for AO-081/40681576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40681576?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40681576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.