1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
TL;DR: 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid (CAS 338982-47-1) is a chemical compound with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-chloro-6-oxopyridine-3-carboxylic acid
Also Known As: 1-benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid, 1-Benzyl-5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid, 1-benzyl-5-chloro-6-oxopyridine-3-carboxylic acid, 8E-337S, 1-benzyl-5-chloro-6-oxo-pyridine-3-carboxylic Acid
| Molecular Formula | C13H10ClNO3 |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 2.2482 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0349 |
| Heavy Atoms | 18 |
| Complexity | 634.42975 |
Chemical Identifiers
| CAS Number | 338982-47-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Cl)C(=O)O |
Product Overview
1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid (CAS 338982-47-1), with molecular formula C13H10ClNO3 and molecular weight 263.03 g/mol. IUPAC: 1-benzyl-5-chloro-6-oxopyridine-3-carboxylic acid.
Chemical Property Profile of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
Property Insights of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
The XLogP value of 2.2482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid 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 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid?
The CAS number of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid is 338982-47-1.
What is the molecular formula of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid?
The molecular formula of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid is C13H10ClNO3.
What is the molecular weight of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid?
The molecular weight of 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid is 263.03 g/mol.
Where can I buy 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid?
You can request a quote for 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.