ChemDiv1_010934
TL;DR: ChemDiv1_010934 (CAS 339318-77-3) is a chemical compound with molecular formula C24H18F3N3O3 and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_010934, A1292/0058793, 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-4-(1,3-benzodioxol-5-YL)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C24H18F3N3O3 |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 4.73888 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.13004 |
| Heavy Atoms | 33 |
| Complexity | 1273.6912 |
Chemical Identifiers
| CAS Number | 339318-77-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1 |
Product Overview
ChemDiv1_010934 (CAS 339318-77-3), with molecular formula C24H18F3N3O3 and molecular weight 453.13 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010934
Property Insights of ChemDiv1_010934
The XLogP value of 4.73888 indicates that ChemDiv1_010934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010934. Following Lipinski's Rule of Five, ChemDiv1_010934 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_010934?
The CAS number of ChemDiv1_010934 is 339318-77-3.
What is the molecular formula of ChemDiv1_010934?
The molecular formula of ChemDiv1_010934 is C24H18F3N3O3.
What is the molecular weight of ChemDiv1_010934?
The molecular weight of ChemDiv1_010934 is 453.13 g/mol.
Where can I buy ChemDiv1_010934?
You can request a quote for ChemDiv1_010934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010934?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.