ChemDiv1_010465
TL;DR: ChemDiv1_010465 (CAS 439294-79-8) is a chemical compound with molecular formula C24H22ClF3N2O3 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide
Also Known As: ChemDiv1_010465, CBKinase1_001652, CBKinase1_014052, AJ-292/40930598, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanamide
| Molecular Formula | C24H22ClF3N2O3 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 5.0838 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.1271 |
| Heavy Atoms | 33 |
| Complexity | 1050.3693 |
Chemical Identifiers
| CAS Number | 439294-79-8 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F |
Product Overview
ChemDiv1_010465 (CAS 439294-79-8), with molecular formula C24H22ClF3N2O3 and molecular weight 478.13 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanamide.
Chemical Property Profile of ChemDiv1_010465
Property Insights of ChemDiv1_010465
The XLogP value of 5.0838 indicates that ChemDiv1_010465 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 ChemDiv1_010465. Following Lipinski's Rule of Five, ChemDiv1_010465 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010465?
The CAS number of ChemDiv1_010465 is 439294-79-8.
What is the molecular formula of ChemDiv1_010465?
The molecular formula of ChemDiv1_010465 is C24H22ClF3N2O3.
What is the molecular weight of ChemDiv1_010465?
The molecular weight of ChemDiv1_010465 is 478.13 g/mol.
Where can I buy ChemDiv1_010465?
You can request a quote for ChemDiv1_010465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010465?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.