ChemDiv1_011240
TL;DR: ChemDiv1_011240 (CAS 339318-74-0) is a chemical compound with molecular formula C23H17F3N4O3 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011240, 2-Amino-4-(3-nitrophenyl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-4-(3-NITROPHENYL)-5-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H17F3N4O3 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.91838 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.12527 |
| Heavy Atoms | 33 |
| Complexity | 1274.1981 |
Chemical Identifiers
| CAS Number | 339318-74-0 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1 |
Product Overview
ChemDiv1_011240 (CAS 339318-74-0), with molecular formula C23H17F3N4O3 and molecular weight 454.13 g/mol. IUPAC: 2-amino-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011240
Property Insights of ChemDiv1_011240
The XLogP value of 4.91838 indicates that ChemDiv1_011240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011240. Following Lipinski's Rule of Five, ChemDiv1_011240 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_011240?
The CAS number of ChemDiv1_011240 is 339318-74-0.
What is the molecular formula of ChemDiv1_011240?
The molecular formula of ChemDiv1_011240 is C23H17F3N4O3.
What is the molecular weight of ChemDiv1_011240?
The molecular weight of ChemDiv1_011240 is 454.13 g/mol.
Where can I buy ChemDiv1_011240?
You can request a quote for ChemDiv1_011240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011240?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.