4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid
TL;DR: 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid (CAS 370585-22-1) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
Also Known As: 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid, IFLab1_003543, IDI1_009650, 4-(2,6-dimethyl-4-oxopyridin-1-yl)benzoic acid, L-3720
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 370585-22-1 |
|---|---|
| SMILES | CC1=CC(=O)C=C(N1C2=CC=C(C=C2)C(=O)O)C |
| InChIKey | QFWPFBINOFPSJZ-UHFFFAOYSA-N |
Product Overview
4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid (CAS 370585-22-1), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 4-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid.
Chemical Property Profile of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid
Property Insights of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid?
The CAS number of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid is 370585-22-1.
What is the molecular formula of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid?
The molecular formula of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid is C14H13NO3.
What is the molecular weight of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid?
The molecular weight of 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid is 243.09 g/mol.
Where can I buy 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid?
You can request a quote for 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-dimethyl-4-oxopyridin-1(4H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.