AO-081/13877022
TL;DR: AO-081/13877022 (CAS 354128-96-4) is a chemical compound with molecular formula C20H16ClF3N2O4S and molecular weight 472.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)acetamide
Also Known As: AO-081/13877022, 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)acetamide, 2-[4-chloro(phenylsulfonyl)-3-(trifluoromethyl)anilino]-N-(2-furylmethyl)acetamide, 2-[benzenesulfonyl-[4-chloro-3-(trifluoromethyl)phenyl]amino]-N-(2-furylmethyl)acetamide, 2-{[4-chloro-3-(trifluoromethyl)phenyl](phenylsulfonyl)amino}-N-(2-furylmethyl )acetamide
| Molecular Formula | C20H16ClF3N2O4S |
|---|---|
| Molecular Weight | 472.05 g/mol |
| LogP | 4.4635 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.04715 |
| Heavy Atoms | 31 |
| Complexity | 1150.923 |
Chemical Identifiers
| CAS Number | 354128-96-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CO2)C3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
AO-081/13877022 (CAS 354128-96-4), with molecular formula C20H16ClF3N2O4S and molecular weight 472.05 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AO-081/13877022
Property Insights of AO-081/13877022
The XLogP value of 4.4635 indicates that AO-081/13877022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/13877022. Following Lipinski's Rule of Five, AO-081/13877022 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-081/13877022?
The CAS number of AO-081/13877022 is 354128-96-4.
What is the molecular formula of AO-081/13877022?
The molecular formula of AO-081/13877022 is C20H16ClF3N2O4S.
What is the molecular weight of AO-081/13877022?
The molecular weight of AO-081/13877022 is 472.05 g/mol.
Where can I buy AO-081/13877022?
You can request a quote for AO-081/13877022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/13877022?
Yes, KEHONG BIO provides custom synthesis services for AO-081/13877022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.