RefChem:464661
TL;DR: RefChem:464661 (CAS 476483-92-8) is a chemical compound with molecular formula C21H16F3N3OS and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-5-oxo-4-(thiophen-3-yl)-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-5-OXO-4-(3-THIENYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-AMINO-5-OXO-4-(3-THIENYL)-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-5-oxo-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-835-2
| Molecular Formula | C21H16F3N3OS |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 5.07168 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.09662 |
| Heavy Atoms | 29 |
| Complexity | 1077.3312 |
Chemical Identifiers
| CAS Number | 476483-92-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CSC=C4)C(=O)C1 |
Product Overview
RefChem:464661 (CAS 476483-92-8), with molecular formula C21H16F3N3OS and molecular weight 415.10 g/mol. IUPAC: 2-amino-5-oxo-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464661
Property Insights of RefChem:464661
The XLogP value of 5.07168 indicates that RefChem:464661 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:464661. Following Lipinski's Rule of Five, RefChem:464661 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:464661?
The CAS number of RefChem:464661 is 476483-92-8.
What is the molecular formula of RefChem:464661?
The molecular formula of RefChem:464661 is C21H16F3N3OS.
What is the molecular weight of RefChem:464661?
The molecular weight of RefChem:464661 is 415.10 g/mol.
Where can I buy RefChem:464661?
You can request a quote for RefChem:464661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.