9E-367S
TL;DR: 9E-367S (CAS 338977-65-4) is a chemical compound with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
Also Known As: 9E-367S, Methyl 5-chloro-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate, Methyl 5-chloro-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxylate, methyl 5-chloro-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylate, methyl 5-chloro-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxylate
| Molecular Formula | C15H11ClF3NO3 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.3554 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.03796 |
| Heavy Atoms | 23 |
| Complexity | 782.0346 |
Chemical Identifiers
| CAS Number | 338977-65-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN(C1=O)CC2=CC=C(C=C2)C(F)(F)F)Cl |
Product Overview
9E-367S (CAS 338977-65-4), with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol. IUPAC: methyl 5-chloro-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate.
Chemical Property Profile of 9E-367S
Property Insights of 9E-367S
The XLogP value of 3.3554 indicates that 9E-367S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 9E-367S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-367S has 0 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 9E-367S?
The CAS number of 9E-367S is 338977-65-4.
What is the molecular formula of 9E-367S?
The molecular formula of 9E-367S is C15H11ClF3NO3.
What is the molecular weight of 9E-367S?
The molecular weight of 9E-367S is 345.04 g/mol.
Where can I buy 9E-367S?
You can request a quote for 9E-367S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-367S?
Yes, KEHONG BIO provides custom synthesis services for 9E-367S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.