Bionet2_000786
TL;DR: Bionet2_000786 (CAS 478261-52-8) is a chemical compound with molecular formula C16H16F3NO3 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: Bionet2_000786, ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxylate, 9L-507S, ethyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C16H16F3NO3 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.146 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.10822 |
| Heavy Atoms | 23 |
| Complexity | 664.7795 |
Chemical Identifiers
| CAS Number | 478261-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC=CC=C2C(F)(F)F)C |
Product Overview
Bionet2_000786 (CAS 478261-52-8), with molecular formula C16H16F3NO3 and molecular weight 327.11 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Bionet2_000786
Property Insights of Bionet2_000786
The XLogP value of 3.146 indicates that Bionet2_000786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Bionet2_000786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet2_000786 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 Bionet2_000786?
The CAS number of Bionet2_000786 is 478261-52-8.
What is the molecular formula of Bionet2_000786?
The molecular formula of Bionet2_000786 is C16H16F3NO3.
What is the molecular weight of Bionet2_000786?
The molecular weight of Bionet2_000786 is 327.11 g/mol.
Where can I buy Bionet2_000786?
You can request a quote for Bionet2_000786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet2_000786?
Yes, KEHONG BIO provides custom synthesis services for Bionet2_000786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.