RefChem:464831
TL;DR: RefChem:464831 (CAS 476483-60-0) is a chemical compound with molecular formula C25H21F3N4O3 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-7,7-DIMETHYL-4-(3-NITROPHENYL)-5-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-Amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-257-3
| Molecular Formula | C25H21F3N4O3 |
|---|---|
| Molecular Weight | 482.16 g/mol |
| LogP | 5.55448 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.1566 |
| Heavy Atoms | 35 |
| Complexity | 1352.211 |
Chemical Identifiers
| CAS Number | 476483-60-0 |
|---|---|
| SMILES | CC1(CC2=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)C |
Product Overview
RefChem:464831 (CAS 476483-60-0), with molecular formula C25H21F3N4O3 and molecular weight 482.16 g/mol. IUPAC: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464831
Property Insights of RefChem:464831
The XLogP value of 5.55448 indicates that RefChem:464831 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 RefChem:464831. Following Lipinski's Rule of Five, RefChem:464831 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:464831?
The CAS number of RefChem:464831 is 476483-60-0.
What is the molecular formula of RefChem:464831?
The molecular formula of RefChem:464831 is C25H21F3N4O3.
What is the molecular weight of RefChem:464831?
The molecular weight of RefChem:464831 is 482.16 g/mol.
Where can I buy RefChem:464831?
You can request a quote for RefChem:464831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.