RefChem:464178
TL;DR: RefChem:464178 (CAS 311765-27-2) is a chemical compound with molecular formula C23H19BrF3N3OS and molecular weight 521.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1352/0061072, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-AMINO-4-(5-BROMO-2-THIENYL)-7,7-DIMETHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C23H19BrF3N3OS |
|---|---|
| Molecular Weight | 521.04 g/mol |
| LogP | 6.47028 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 521.03845 |
| Heavy Atoms | 32 |
| Complexity | 1219.5603 |
Chemical Identifiers
| CAS Number | 311765-27-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C |
Product Overview
RefChem:464178 (CAS 311765-27-2), with molecular formula C23H19BrF3N3OS and molecular weight 521.04 g/mol. IUPAC: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464178
Property Insights of RefChem:464178
The XLogP value of 6.47028 indicates that RefChem:464178 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:464178. Following Lipinski's Rule of Five, RefChem:464178 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:464178?
The CAS number of RefChem:464178 is 311765-27-2.
What is the molecular formula of RefChem:464178?
The molecular formula of RefChem:464178 is C23H19BrF3N3OS.
What is the molecular weight of RefChem:464178?
The molecular weight of RefChem:464178 is 521.04 g/mol.
Where can I buy RefChem:464178?
You can request a quote for RefChem:464178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.