AO-081/40681618
TL;DR: AO-081/40681618 (CAS 496952-50-2) is a chemical compound with molecular formula C25H30N4O5S and molecular weight 498.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
Also Known As: AO-081/40681618, 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide, N-(3,4-dimethoxyphenyl)-N-[2-(2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}hydrazino)-2-oxoethyl]methanesulfonamide, (E)-N-(3,4-dimethoxyphenyl)-N-(2-(2-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)hydrazinyl)-2-oxoethyl)methanesulfonamide, N-(3,4-dimethoxyphenyl)-N-{2-[(2E)-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}hydrazinyl]-2-oxoethyl}methanesulfonamide (non-preferred name)
| Molecular Formula | C25H30N4O5S |
|---|---|
| Molecular Weight | 498.19 g/mol |
| LogP | 3.33606 |
| Topological Polar Surface Area | 102.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.1937 |
| Heavy Atoms | 35 |
| Complexity | 1344.9219 |
Chemical Identifiers
| CAS Number | 496952-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC(=O)CN(C3=CC(=C(C=C3)OC)OC)S(=O)(=O)C)C |
Product Overview
AO-081/40681618 (CAS 496952-50-2), with molecular formula C25H30N4O5S and molecular weight 498.19 g/mol. IUPAC: 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide.
Chemical Property Profile of AO-081/40681618
Property Insights of AO-081/40681618
The XLogP value of 3.33606 indicates that AO-081/40681618 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40681618. Following Lipinski's Rule of Five, AO-081/40681618 has 1 hydrogen bond donor(s) and 6 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-081/40681618?
The CAS number of AO-081/40681618 is 496952-50-2.
What is the molecular formula of AO-081/40681618?
The molecular formula of AO-081/40681618 is C25H30N4O5S.
What is the molecular weight of AO-081/40681618?
The molecular weight of AO-081/40681618 is 498.19 g/mol.
Where can I buy AO-081/40681618?
You can request a quote for AO-081/40681618 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40681618?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40681618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.