AB00713817-01
TL;DR: AB00713817-01 (CAS 438595-59-6) is a chemical compound with molecular formula C21H13Cl2F3N2O3 and molecular weight 468.03 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-chloropyridine-3-carboxylate
Also Known As: AB00713817-01, [[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-phenyl-methyl] 2-chloropyridine-3-carboxylate, {[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}(phenyl)methyl 2-chloropyridine-3-carboxylate, [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C21H13Cl2F3N2O3 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 5.944 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.02554 |
| Heavy Atoms | 31 |
| Complexity | 1108.5242 |
Chemical Identifiers
| CAS Number | 438595-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
AB00713817-01 (CAS 438595-59-6), with molecular formula C21H13Cl2F3N2O3 and molecular weight 468.03 g/mol. IUPAC: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of AB00713817-01
Property Insights of AB00713817-01
The XLogP value of 5.944 indicates that AB00713817-01 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 AB00713817-01. Following Lipinski's Rule of Five, AB00713817-01 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 AB00713817-01?
The CAS number of AB00713817-01 is 438595-59-6.
What is the molecular formula of AB00713817-01?
The molecular formula of AB00713817-01 is C21H13Cl2F3N2O3.
What is the molecular weight of AB00713817-01?
The molecular weight of AB00713817-01 is 468.03 g/mol.
Where can I buy AB00713817-01?
You can request a quote for AB00713817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00713817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00713817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.