AO-081/40846899
TL;DR: AO-081/40846899 (CAS 496960-70-4) is a chemical compound with molecular formula C23H25N3O3S and molecular weight 423.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
Also Known As: AO-081/40846899, 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide, 2-{(4-methylbenzyl)[(4-methylphenyl)sulfonyl]amino}-N-(4-pyridinylmethyl)acetamide, Cambridge id 7094394
| Molecular Formula | C23H25N3O3S |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 3.20574 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.16165 |
| Heavy Atoms | 30 |
| Complexity | 1080.802 |
Chemical Identifiers
| CAS Number | 496960-70-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
AO-081/40846899 (CAS 496960-70-4), with molecular formula C23H25N3O3S and molecular weight 423.16 g/mol. IUPAC: 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
Chemical Property Profile of AO-081/40846899
Property Insights of AO-081/40846899
The XLogP value of 3.20574 indicates that AO-081/40846899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40846899. Following Lipinski's Rule of Five, AO-081/40846899 has 1 hydrogen bond donor(s) and 4 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-081/40846899?
The CAS number of AO-081/40846899 is 496960-70-4.
What is the molecular formula of AO-081/40846899?
The molecular formula of AO-081/40846899 is C23H25N3O3S.
What is the molecular weight of AO-081/40846899?
The molecular weight of AO-081/40846899 is 423.16 g/mol.
Where can I buy AO-081/40846899?
You can request a quote for AO-081/40846899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40846899?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40846899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.