AO-081/41758963
TL;DR: AO-081/41758963 (CAS 663159-95-3) is a chemical compound with molecular formula C18H19ClF3N3O5S2 and molecular weight 513.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
Also Known As: AO-081/41758963, 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide, 2-[2-chloro(methylsulfonyl)-5-(trifluoromethyl)anilino]-N-{3-[methyl(methylsulfonyl)amino]phenyl}acetamide, N~2~-[2-chloro-5-(trifluoromethyl)phenyl]-N-{3-[methyl(methylsulfonyl)amino]phenyl}-N~2~-(methylsulfonyl)glycinamide
| Molecular Formula | C18H19ClF3N3O5S2 |
|---|---|
| Molecular Weight | 513.04 g/mol |
| LogP | 3.1593 |
| Topological Polar Surface Area | 103.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.04065 |
| Heavy Atoms | 32 |
| Complexity | 1234.6616 |
Chemical Identifiers
| CAS Number | 663159-95-3 |
|---|---|
| SMILES | CN(C1=CC=CC(=C1)NC(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C)S(=O)(=O)C |
Product Overview
AO-081/41758963 (CAS 663159-95-3), with molecular formula C18H19ClF3N3O5S2 and molecular weight 513.04 g/mol. IUPAC: 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
Chemical Property Profile of AO-081/41758963
Property Insights of AO-081/41758963
The XLogP value of 3.1593 indicates that AO-081/41758963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41758963. Following Lipinski's Rule of Five, AO-081/41758963 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/41758963?
The CAS number of AO-081/41758963 is 663159-95-3.
What is the molecular formula of AO-081/41758963?
The molecular formula of AO-081/41758963 is C18H19ClF3N3O5S2.
What is the molecular weight of AO-081/41758963?
The molecular weight of AO-081/41758963 is 513.04 g/mol.
Where can I buy AO-081/41758963?
You can request a quote for AO-081/41758963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41758963?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41758963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.