RefChem:464142
TL;DR: RefChem:464142 (CAS 311767-29-0) is a chemical compound with molecular formula C25H21ClF3N3O and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1394/0062319, 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C25H21ClF3N3O |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 6.29968 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.13254 |
| Heavy Atoms | 33 |
| Complexity | 1236.7788 |
Chemical Identifiers
| CAS Number | 311767-29-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=C(C=C4)Cl)C(=O)C1)C |
Product Overview
RefChem:464142 (CAS 311767-29-0), with molecular formula C25H21ClF3N3O and molecular weight 471.13 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464142
Property Insights of RefChem:464142
The XLogP value of 6.29968 indicates that RefChem:464142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:464142. Following Lipinski's Rule of Five, RefChem:464142 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 RefChem:464142?
The CAS number of RefChem:464142 is 311767-29-0.
What is the molecular formula of RefChem:464142?
The molecular formula of RefChem:464142 is C25H21ClF3N3O.
What is the molecular weight of RefChem:464142?
The molecular weight of RefChem:464142 is 471.13 g/mol.
Where can I buy RefChem:464142?
You can request a quote for RefChem:464142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464142?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.