BIM-0044610.P001
TL;DR: BIM-0044610.P001 (CAS 312698-37-6) is a chemical compound with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BIM-0044610.P001, butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, butyl 2-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H24F3NO3 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 5.0166 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.17084 |
| Heavy Atoms | 29 |
| Complexity | 883.5338 |
Chemical Identifiers
| CAS Number | 312698-37-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)C(F)(F)F)C(=O)CCC2)C |
Product Overview
BIM-0044610.P001 (CAS 312698-37-6), with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol. IUPAC: butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BIM-0044610.P001
Property Insights of BIM-0044610.P001
The XLogP value of 5.0166 indicates that BIM-0044610.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BIM-0044610.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0044610.P001 has 1 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 BIM-0044610.P001?
The CAS number of BIM-0044610.P001 is 312698-37-6.
What is the molecular formula of BIM-0044610.P001?
The molecular formula of BIM-0044610.P001 is C22H24F3NO3.
What is the molecular weight of BIM-0044610.P001?
The molecular weight of BIM-0044610.P001 is 407.17 g/mol.
Where can I buy BIM-0044610.P001?
You can request a quote for BIM-0044610.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044610.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044610.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.