4-Pyridinecarboxylic acid, 3-(acetyloxy)-
TL;DR: 4-Pyridinecarboxylic acid, 3-(acetyloxy)- (CAS 79451-33-5) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxypyridine-4-carboxylic acid
Also Known As: 3-acetyloxypyridine-4-carboxylic acid, 4-Pyridinecarboxylic acid, 3-(acetyloxy)-, 3-(acetyloxy)pyridine-4-carboxylic acid, 4-Pyridinecarboxylicacid, 3-(acetyloxy)-
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 79451-33-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CN=C1)C(=O)O |
| InChIKey | TYOOQRTYNDVPMZ-UHFFFAOYSA-N |
Product Overview
4-Pyridinecarboxylic acid, 3-(acetyloxy)- (CAS 79451-33-5), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 3-acetyloxypyridine-4-carboxylic acid.
Chemical Property Profile of 4-Pyridinecarboxylic acid, 3-(acetyloxy)-
Property Insights of 4-Pyridinecarboxylic acid, 3-(acetyloxy)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarboxylic acid, 3-(acetyloxy)-. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridinecarboxylic acid, 3-(acetyloxy)-. Following Lipinski's Rule of Five, 4-Pyridinecarboxylic acid, 3-(acetyloxy)- 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 4-Pyridinecarboxylic acid, 3-(acetyloxy)-?
The CAS number of 4-Pyridinecarboxylic acid, 3-(acetyloxy)- is 79451-33-5.
What is the molecular formula of 4-Pyridinecarboxylic acid, 3-(acetyloxy)-?
The molecular formula of 4-Pyridinecarboxylic acid, 3-(acetyloxy)- is C8H7NO4.
What is the molecular weight of 4-Pyridinecarboxylic acid, 3-(acetyloxy)-?
The molecular weight of 4-Pyridinecarboxylic acid, 3-(acetyloxy)- is 181.04 g/mol.
Where can I buy 4-Pyridinecarboxylic acid, 3-(acetyloxy)-?
You can request a quote for 4-Pyridinecarboxylic acid, 3-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarboxylic acid, 3-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarboxylic acid, 3-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.