AB00118346-01
TL;DR: AB00118346-01 (CAS 474007-98-2) is a chemical compound with molecular formula C22H22ClF3N2O3S and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
Also Known As: AB00118346-01, AO-081/40838426, N-bicyclo[2.2.1]hept-2-yl-2-[2-chloro(phenylsulfonyl)-5-(trifluoromethyl)anilino]acetamide, N-{BICYCLO[2.2.1]HEPTAN-2-YL}-2-{N-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDO}ACETAMIDE, 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
| Molecular Formula | C22H22ClF3N2O3S |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 4.8589 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.09918 |
| Heavy Atoms | 32 |
| Complexity | 1109.1493 |
Chemical Identifiers
| CAS Number | 474007-98-2 |
|---|---|
| SMILES | C1CC2CC1CC2NC(=O)CN(C3=C(C=CC(=C3)C(F)(F)F)Cl)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
AB00118346-01 (CAS 474007-98-2), with molecular formula C22H22ClF3N2O3S and molecular weight 486.10 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide.
Chemical Property Profile of AB00118346-01
Property Insights of AB00118346-01
The XLogP value of 4.8589 indicates that AB00118346-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118346-01. Following Lipinski's Rule of Five, AB00118346-01 has 1 hydrogen bond donor(s) and 3 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 AB00118346-01?
The CAS number of AB00118346-01 is 474007-98-2.
What is the molecular formula of AB00118346-01?
The molecular formula of AB00118346-01 is C22H22ClF3N2O3S.
What is the molecular weight of AB00118346-01?
The molecular weight of AB00118346-01 is 486.10 g/mol.
Where can I buy AB00118346-01?
You can request a quote for AB00118346-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118346-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118346-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.