AO-081/40681369
TL;DR: AO-081/40681369 (CAS 425682-03-7) is a chemical compound with molecular formula C22H18ClF3N2O4S and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
Also Known As: AO-081/40681369, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-N~2~-(methylsulfonyl)-N~2~-(4-phenoxyphenyl)glycinamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(methylsulfonyl)-4-phenoxyanilino]acetamide
| Molecular Formula | C22H18ClF3N2O4S |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 5.5558 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.0628 |
| Heavy Atoms | 33 |
| Complexity | 1234.7458 |
Chemical Identifiers
| CAS Number | 425682-03-7 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)C2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
AO-081/40681369 (CAS 425682-03-7), with molecular formula C22H18ClF3N2O4S and molecular weight 498.06 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
Chemical Property Profile of AO-081/40681369
Property Insights of AO-081/40681369
The XLogP value of 5.5558 indicates that AO-081/40681369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/40681369. Following Lipinski's Rule of Five, AO-081/40681369 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/40681369?
The CAS number of AO-081/40681369 is 425682-03-7.
What is the molecular formula of AO-081/40681369?
The molecular formula of AO-081/40681369 is C22H18ClF3N2O4S.
What is the molecular weight of AO-081/40681369?
The molecular weight of AO-081/40681369 is 498.06 g/mol.
Where can I buy AO-081/40681369?
You can request a quote for AO-081/40681369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40681369?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40681369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.