9E-378S
TL;DR: 9E-378S (CAS 478260-56-9) is a chemical compound with molecular formula C14H7F5N2O and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-difluorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 9E-378S, 1-(3,4-difluorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 1-[(3,4-difluorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile, 1-[(3,4-difluorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C14H7F5N2O |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.06528 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.04785 |
| Heavy Atoms | 22 |
| Complexity | 817.4487 |
Chemical Identifiers
| CAS Number | 478260-56-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN2C(=CC=C(C2=O)C#N)C(F)(F)F)F)F |
Product Overview
9E-378S (CAS 478260-56-9), with molecular formula C14H7F5N2O and molecular weight 314.05 g/mol. IUPAC: 1-[(3,4-difluorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 9E-378S
Property Insights of 9E-378S
The XLogP value of 3.06528 indicates that 9E-378S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 9E-378S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-378S has 0 hydrogen bond donor(s) and 2 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-378S?
The CAS number of 9E-378S is 478260-56-9.
What is the molecular formula of 9E-378S?
The molecular formula of 9E-378S is C14H7F5N2O.
What is the molecular weight of 9E-378S?
The molecular weight of 9E-378S is 314.05 g/mol.
Where can I buy 9E-378S?
You can request a quote for 9E-378S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-378S?
Yes, KEHONG BIO provides custom synthesis services for 9E-378S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.