3-(4-甲氧基苯甲酰)吡啶-2-甲酸
TL;DR: 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 (CAS 116060-92-5) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-甲氧基苯甲酰)吡啶-2-甲酸
3-(4-methoxybenzoyl)pyridine-2-carboxylic acid
Also Known As: 3-(4-methoxybenzoyl)pyridine-2-carboxylic acid, 3-(4-METHOXYBENZOYL)-PYRIDINE-2-CARBOXYLIC ACID, 2-Pyridinecarboxylicacid, 3-(4-methoxybenzoyl)-, 2-Pyridinecarboxylic acid, 3-(4-methoxybenzoyl)-, 3-(4-methoxybenzoyl)-2-pyridinecarboxylic acid
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 116060-92-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)C(=O)O |
| InChIKey | AYPXSNXRKBOINP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-甲氧基苯甲酰)吡啶-2-甲酸 (CAS 116060-92-5), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: 3-(4-methoxybenzoyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸
Property Insights of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-甲氧基苯甲酰)吡啶-2-甲酸. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-甲氧基苯甲酰)吡啶-2-甲酸. Following Lipinski's Rule of Five, 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 has 1 hydrogen bond donor(s) and 5 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 3-(4-甲氧基苯甲酰)吡啶-2-甲酸?
The CAS number of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 is 116060-92-5.
What is the molecular formula of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸?
The molecular formula of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 is C14H11NO4.
What is the molecular weight of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸?
The molecular weight of 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 is 257.07 g/mol.
Where can I buy 3-(4-甲氧基苯甲酰)吡啶-2-甲酸?
You can request a quote for 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-甲氧基苯甲酰)吡啶-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-甲氧基苯甲酰)吡啶-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.