ChemDiv3_008529
TL;DR: ChemDiv3_008529 (CAS 878445-18-2) is a chemical compound with molecular formula C20H16F3NO2S and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Also Known As: ChemDiv3_008529, IDI1_026439, BAS 14393596, 7-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione, 7-(2-thienyl)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5 -dione
| Molecular Formula | C20H16F3NO2S |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 4.7712 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.0854 |
| Heavy Atoms | 27 |
| Complexity | 930.9535 |
Chemical Identifiers
| CAS Number | 878445-18-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC(=O)CC2C3=CC=CC=C3C(F)(F)F)C4=CC=CS4 |
Product Overview
ChemDiv3_008529 (CAS 878445-18-2), with molecular formula C20H16F3NO2S and molecular weight 391.09 g/mol. IUPAC: 7-thiophen-2-yl-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
Chemical Property Profile of ChemDiv3_008529
Property Insights of ChemDiv3_008529
The XLogP value of 4.7712 indicates that ChemDiv3_008529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, ChemDiv3_008529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_008529 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_008529?
The CAS number of ChemDiv3_008529 is 878445-18-2.
What is the molecular formula of ChemDiv3_008529?
The molecular formula of ChemDiv3_008529 is C20H16F3NO2S.
What is the molecular weight of ChemDiv3_008529?
The molecular weight of ChemDiv3_008529 is 391.09 g/mol.
Where can I buy ChemDiv3_008529?
You can request a quote for ChemDiv3_008529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008529?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.