1-Dodecylpyridoxal chloride
TL;DR: 1-Dodecylpyridoxal chloride (CAS 87251-90-9) is a chemical compound with molecular formula C20H34ClNO3 and molecular weight 371.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde chloride
Also Known As: 1-Dodecylpyridoxal chloride, 1-Dodecylpyridoxal, 1-Dodecylpyridoxal bromide, 4-hydroxy-7-methoxy-8-methyl-quinoline, 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde;chloride
| Molecular Formula | C20H34ClNO3 |
|---|---|
| Molecular Weight | 371.22 g/mol |
| LogP | 1.21782 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 371.22272 |
| Heavy Atoms | 25 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 87251-90-9 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Cl-] |
| InChIKey | MFYYKSHXSCXFEA-UHFFFAOYSA-N |
Product Overview
1-Dodecylpyridoxal chloride (CAS 87251-90-9), with molecular formula C20H34ClNO3 and molecular weight 371.22 g/mol. IUPAC: 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde chloride.
Chemical Property Profile of 1-Dodecylpyridoxal chloride
Property Insights of 1-Dodecylpyridoxal chloride
The XLogP value of 1.21782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Dodecylpyridoxal chloride. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dodecylpyridoxal chloride. Following Lipinski's Rule of Five, 1-Dodecylpyridoxal chloride 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 1-Dodecylpyridoxal chloride?
The CAS number of 1-Dodecylpyridoxal chloride is 87251-90-9.
What is the molecular formula of 1-Dodecylpyridoxal chloride?
The molecular formula of 1-Dodecylpyridoxal chloride is C20H34ClNO3.
What is the molecular weight of 1-Dodecylpyridoxal chloride?
The molecular weight of 1-Dodecylpyridoxal chloride is 371.22 g/mol.
Where can I buy 1-Dodecylpyridoxal chloride?
You can request a quote for 1-Dodecylpyridoxal chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecylpyridoxal chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecylpyridoxal chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.