吡哆醛
TL;DR: 吡哆醛 (CAS 66-72-8) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡哆醛
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
Also Known As: pyridoxal, Pyridoxaldehyde, Piridoxal, Pyridocalx, pyridoxal-
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| Melting Point | 165 |
| Solubility | 500000 |
| Vapor Pressure | 0.00000162 [mmHg] |
Chemical Identifiers
| CAS Number | 66-72-8 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=O)CO |
| InChIKey | RADKZDMFGJYCBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡哆醛 (CAS 66-72-8), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde.
Chemical Property Profile of 吡哆醛
Property Insights of 吡哆醛
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡哆醛. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡哆醛. Following Lipinski's Rule of Five, 吡哆醛 has 2 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 吡哆醛?
The CAS number of 吡哆醛 is 66-72-8.
What is the molecular formula of 吡哆醛?
The molecular formula of 吡哆醛 is C8H9NO3.
What is the molecular weight of 吡哆醛?
The molecular weight of 吡哆醛 is 167.06 g/mol.
Where can I buy 吡哆醛?
You can request a quote for 吡哆醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡哆醛?
Yes, KEHONG BIO provides custom synthesis services for 吡哆醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.