C14H12ClFN2O
TL;DR: C14H12ClFN2O (CAS 338748-74-6) is a chemical compound with molecular formula C14H12ClFN2O and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile
Also Known As: 1-(2-chloro-6-fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 1-(2-Chloro-6-fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 1-(2-Chloro-6-fluorobenzyl)-5-cyano-6-methyl-1,2,3,4-tetrahydropyridin-2-one, 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile, chlorofluorobenzylmethyloxotetrahydropyridinecarbonitrile
| Molecular Formula | C14H12ClFN2O |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.39908 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.06223 |
| Heavy Atoms | 19 |
| Complexity | 583.7038 |
Chemical Identifiers
| CAS Number | 338748-74-6 |
|---|---|
| SMILES | CC1=C(CCC(=O)N1CC2=C(C=CC=C2Cl)F)C#N |
Product Overview
C14H12ClFN2O (CAS 338748-74-6), with molecular formula C14H12ClFN2O and molecular weight 278.06 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile.
Chemical Property Profile of C14H12ClFN2O
Property Insights of C14H12ClFN2O
The XLogP value of 3.39908 indicates that C14H12ClFN2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, C14H12ClFN2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H12ClFN2O 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 C14H12ClFN2O?
The CAS number of C14H12ClFN2O is 338748-74-6.
What is the molecular formula of C14H12ClFN2O?
The molecular formula of C14H12ClFN2O is C14H12ClFN2O.
What is the molecular weight of C14H12ClFN2O?
The molecular weight of C14H12ClFN2O is 278.06 g/mol.
Where can I buy C14H12ClFN2O?
You can request a quote for C14H12ClFN2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H12ClFN2O?
Yes, KEHONG BIO provides custom synthesis services for C14H12ClFN2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.