RefChem:464842
TL;DR: RefChem:464842 (CAS 311328-71-9) is a chemical compound with molecular formula C23H20F3N3OS and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_010935, 2-amino-7,7-dimethyl-5-oxo-4-(3-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1306/0059378, 2-Amino-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20F3N3OS |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.70778 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.12793 |
| Heavy Atoms | 31 |
| Complexity | 1153.4696 |
Chemical Identifiers
| CAS Number | 311328-71-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CSC=C4)C(=O)C1)C |
Product Overview
RefChem:464842 (CAS 311328-71-9), with molecular formula C23H20F3N3OS and molecular weight 443.13 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464842
Property Insights of RefChem:464842
The XLogP value of 5.70778 indicates that RefChem:464842 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:464842. Following Lipinski's Rule of Five, RefChem:464842 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:464842?
The CAS number of RefChem:464842 is 311328-71-9.
What is the molecular formula of RefChem:464842?
The molecular formula of RefChem:464842 is C23H20F3N3OS.
What is the molecular weight of RefChem:464842?
The molecular weight of RefChem:464842 is 443.13 g/mol.
Where can I buy RefChem:464842?
You can request a quote for RefChem:464842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.