9E-373S
TL;DR: 9E-373S (CAS 338977-71-2) is a chemical compound with molecular formula C14H7Cl2F3N2O and molecular weight 345.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 9E-373S, 1-(3,4-dichlorobenzyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile, 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile, 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C14H7Cl2F3N2O |
|---|---|
| Molecular Weight | 345.99 g/mol |
| LogP | 4.09388 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.98874 |
| Heavy Atoms | 22 |
| Complexity | 822.30347 |
Chemical Identifiers
| CAS Number | 338977-71-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN2C(=CC=C(C2=O)C#N)C(F)(F)F)Cl)Cl |
Product Overview
9E-373S (CAS 338977-71-2), with molecular formula C14H7Cl2F3N2O and molecular weight 345.99 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 9E-373S
Property Insights of 9E-373S
The XLogP value of 4.09388 indicates that 9E-373S 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-373S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-373S 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-373S?
The CAS number of 9E-373S is 338977-71-2.
What is the molecular formula of 9E-373S?
The molecular formula of 9E-373S is C14H7Cl2F3N2O.
What is the molecular weight of 9E-373S?
The molecular weight of 9E-373S is 345.99 g/mol.
Where can I buy 9E-373S?
You can request a quote for 9E-373S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-373S?
Yes, KEHONG BIO provides custom synthesis services for 9E-373S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.