4-吡哆酸
TL;DR: 4-吡哆酸 (CAS 82-82-6) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-吡哆酸
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid
Also Known As: 4-Pyridoxic acid, Pyridoxic acid, 4-Pyridoxinic acid, 4-Pyridoxylic acid, 4-Pyridoxate
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| Melting Point | 247 - 248 °C |
Chemical Identifiers
| CAS Number | 82-82-6 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C(=O)O)CO |
| InChIKey | HXACOUQIXZGNBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-吡哆酸 (CAS 82-82-6), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid.
Chemical Property Profile of 4-吡哆酸
Property Insights of 4-吡哆酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-吡哆酸. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-吡哆酸. Following Lipinski's Rule of Five, 4-吡哆酸 has 3 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-吡哆酸?
The CAS number of 4-吡哆酸 is 82-82-6.
What is the molecular formula of 4-吡哆酸?
The molecular formula of 4-吡哆酸 is C8H9NO4.
What is the molecular weight of 4-吡哆酸?
The molecular weight of 4-吡哆酸 is 183.05 g/mol.
Where can I buy 4-吡哆酸?
You can request a quote for 4-吡哆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-吡哆酸?
Yes, KEHONG BIO provides custom synthesis services for 4-吡哆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.