AB00717011-01
TL;DR: AB00717011-01 (CAS 479700-06-6) is a chemical compound with molecular formula C22H16ClF3N2O3S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: AB00717011-01, [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate, {[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}(phenyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C22H16ClF3N2O3S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.0125 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.05222 |
| Heavy Atoms | 32 |
| Complexity | 1126.9039 |
Chemical Identifiers
| CAS Number | 479700-06-6 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F |
Product Overview
AB00717011-01 (CAS 479700-06-6), with molecular formula C22H16ClF3N2O3S and molecular weight 480.05 g/mol. IUPAC: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of AB00717011-01
Property Insights of AB00717011-01
The XLogP value of 6.0125 indicates that AB00717011-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00717011-01. Following Lipinski's Rule of Five, AB00717011-01 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 AB00717011-01?
The CAS number of AB00717011-01 is 479700-06-6.
What is the molecular formula of AB00717011-01?
The molecular formula of AB00717011-01 is C22H16ClF3N2O3S.
What is the molecular weight of AB00717011-01?
The molecular weight of AB00717011-01 is 480.05 g/mol.
Where can I buy AB00717011-01?
You can request a quote for AB00717011-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00717011-01?
Yes, KEHONG BIO provides custom synthesis services for AB00717011-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.