C14H9ClF3NO3
TL;DR: C14H9ClF3NO3 (CAS 339024-06-5) is a chemical compound with molecular formula C14H9ClF3NO3 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
Also Known As: 5-Chloro-6-Oxo-1-[3-(Trifluoromethyl)Benzyl]-1,6-Dihydro-3-Pyridinecarboxylic Acid, 0820AE, 3,5,7-Tris-morpholinomethyl-tropolon, 8E-319S, 5-chloro-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic Acid
| Molecular Formula | C14H9ClF3NO3 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 3.267 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0223 |
| Heavy Atoms | 22 |
| Complexity | 783.633 |
Chemical Identifiers
| CAS Number | 339024-06-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=C(C2=O)Cl)C(=O)O |
Product Overview
C14H9ClF3NO3 (CAS 339024-06-5), with molecular formula C14H9ClF3NO3 and molecular weight 331.02 g/mol. IUPAC: 5-chloro-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.
Chemical Property Profile of C14H9ClF3NO3
Property Insights of C14H9ClF3NO3
The XLogP value of 3.267 indicates that C14H9ClF3NO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, C14H9ClF3NO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H9ClF3NO3 has 1 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 C14H9ClF3NO3?
The CAS number of C14H9ClF3NO3 is 339024-06-5.
What is the molecular formula of C14H9ClF3NO3?
The molecular formula of C14H9ClF3NO3 is C14H9ClF3NO3.
What is the molecular weight of C14H9ClF3NO3?
The molecular weight of C14H9ClF3NO3 is 331.02 g/mol.
Where can I buy C14H9ClF3NO3?
You can request a quote for C14H9ClF3NO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H9ClF3NO3?
Yes, KEHONG BIO provides custom synthesis services for C14H9ClF3NO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.