ChemDiv1_008759
TL;DR: ChemDiv1_008759 (CAS 406183-92-4) is a chemical compound with molecular formula C27H31FN2O2S and molecular weight 466.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-tert-butylthiophen-2-yl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: ChemDiv1_008759, 4-(5-(tert-Butyl)thiophen-2-yl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 4-(5-tert-butyl-2-thienyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 4-(5-TERT-BUTYLTHIOPHEN-2-YL)-N-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE, 4-(5-tert-butylthiophen-2-yl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
| Molecular Formula | C27H31FN2O2S |
|---|---|
| Molecular Weight | 466.21 g/mol |
| LogP | 6.4274 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.209 |
| Heavy Atoms | 33 |
| Complexity | 1196.6987 |
Chemical Identifiers
| CAS Number | 406183-92-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)C(C)(C)C)C(=O)NC4=CC(=CC=C4)F |
Product Overview
ChemDiv1_008759 (CAS 406183-92-4), with molecular formula C27H31FN2O2S and molecular weight 466.21 g/mol. IUPAC: 4-(5-tert-butylthiophen-2-yl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of ChemDiv1_008759
Property Insights of ChemDiv1_008759
The XLogP value of 6.4274 indicates that ChemDiv1_008759 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, ChemDiv1_008759 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008759 has 2 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 ChemDiv1_008759?
The CAS number of ChemDiv1_008759 is 406183-92-4.
What is the molecular formula of ChemDiv1_008759?
The molecular formula of ChemDiv1_008759 is C27H31FN2O2S.
What is the molecular weight of ChemDiv1_008759?
The molecular weight of ChemDiv1_008759 is 466.21 g/mol.
Where can I buy ChemDiv1_008759?
You can request a quote for ChemDiv1_008759 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008759?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008759 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.