AO-081/40671566
TL;DR: AO-081/40671566 (CAS 498532-47-1) is a chemical compound with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
Also Known As: AO-081/40671566, 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide, N-1,3-benzodioxol-5-yl-N~2~-(4-chlorobenzyl)-N~2~-(phenylsulfonyl)glycinamide, N-(1,3-benzodioxol-5-yl)-2-[(4-chlorobenzyl)(phenylsulfonyl)amino]acetamide
| Molecular Formula | C22H19ClN2O5S |
|---|---|
| Molecular Weight | 458.07 g/mol |
| LogP | 3.8983 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.0703 |
| Heavy Atoms | 31 |
| Complexity | 1184.283 |
Chemical Identifiers
| CAS Number | 498532-47-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
AO-081/40671566 (CAS 498532-47-1), with molecular formula C22H19ClN2O5S and molecular weight 458.07 g/mol. IUPAC: 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of AO-081/40671566
Property Insights of AO-081/40671566
The XLogP value of 3.8983 indicates that AO-081/40671566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40671566. Following Lipinski's Rule of Five, AO-081/40671566 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-081/40671566?
The CAS number of AO-081/40671566 is 498532-47-1.
What is the molecular formula of AO-081/40671566?
The molecular formula of AO-081/40671566 is C22H19ClN2O5S.
What is the molecular weight of AO-081/40671566?
The molecular weight of AO-081/40671566 is 458.07 g/mol.
Where can I buy AO-081/40671566?
You can request a quote for AO-081/40671566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40671566?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40671566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.