MixCom6_002342
TL;DR: MixCom6_002342 (CAS 297158-87-3) is a chemical compound with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: MixCom6_002342, BIM-0047632.P001, A2413/0102295, benzyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate, benzyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C21H18F3NO3 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.3263 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.12387 |
| Heavy Atoms | 28 |
| Complexity | 919.9931 |
Chemical Identifiers
| CAS Number | 297158-87-3 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCC3=CC=CC=C3 |
Product Overview
MixCom6_002342 (CAS 297158-87-3), with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol. IUPAC: benzyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of MixCom6_002342
Property Insights of MixCom6_002342
The XLogP value of 4.3263 indicates that MixCom6_002342 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_002342 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MixCom6_002342 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 MixCom6_002342?
The CAS number of MixCom6_002342 is 297158-87-3.
What is the molecular formula of MixCom6_002342?
The molecular formula of MixCom6_002342 is C21H18F3NO3.
What is the molecular weight of MixCom6_002342?
The molecular weight of MixCom6_002342 is 389.12 g/mol.
Where can I buy MixCom6_002342?
You can request a quote for MixCom6_002342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002342?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.