MixCom6_001803
TL;DR: MixCom6_001803 (CAS 313244-58-5) is a chemical compound with molecular formula C25H24FNO3 and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: MixCom6_001803, BAS 00915307, BIM-0032004.P001, 2-phenylethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(4-Fluoro-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic
| Molecular Formula | C25H24FNO3 |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 4.5795 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.174 |
| Heavy Atoms | 30 |
| Complexity | 1022.1191 |
Chemical Identifiers
| CAS Number | 313244-58-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)F)C(=O)OCCC4=CC=CC=C4 |
Product Overview
MixCom6_001803 (CAS 313244-58-5), with molecular formula C25H24FNO3 and molecular weight 405.17 g/mol. IUPAC: 2-phenylethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of MixCom6_001803
Property Insights of MixCom6_001803
The XLogP value of 4.5795 indicates that MixCom6_001803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, MixCom6_001803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_001803 has 1 hydrogen bond donor(s) and 4 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 MixCom6_001803?
The CAS number of MixCom6_001803 is 313244-58-5.
What is the molecular formula of MixCom6_001803?
The molecular formula of MixCom6_001803 is C25H24FNO3.
What is the molecular weight of MixCom6_001803?
The molecular weight of MixCom6_001803 is 405.17 g/mol.
Where can I buy MixCom6_001803?
You can request a quote for MixCom6_001803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001803?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.