1-十二烷基吡哆醛溴化物
TL;DR: 1-十二烷基吡哆醛溴化物 (CAS 112008-39-6) is a chemical compound with molecular formula C20H34BrNO3 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-十二烷基吡哆醛溴化物
1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde bromide
Also Known As: 1-Dodecylpyridoxal bromide, 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde;bromide, Pyridinium, 1-dodecyl-4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methyl-, bromide, 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde Bromide, 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde bromide
| Molecular Formula | C20H34BrNO3 |
|---|---|
| Molecular Weight | 415.17 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 | 415.1722 |
| Heavy Atoms | 25 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 112008-39-6 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Br-] |
| InChIKey | BWDZVCSPVILLEX-UHFFFAOYSA-N |
Product Overview
1-十二烷基吡哆醛溴化物 (CAS 112008-39-6), with molecular formula C20H34BrNO3 and molecular weight 415.17 g/mol. IUPAC: 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde bromide.
Chemical Property Profile of 1-十二烷基吡哆醛溴化物
Property Insights of 1-十二烷基吡哆醛溴化物
The XLogP value of 1.21782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-十二烷基吡哆醛溴化物. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-十二烷基吡哆醛溴化物. Following Lipinski's Rule of Five, 1-十二烷基吡哆醛溴化物 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 1-十二烷基吡哆醛溴化物?
The CAS number of 1-十二烷基吡哆醛溴化物 is 112008-39-6.
What is the molecular formula of 1-十二烷基吡哆醛溴化物?
The molecular formula of 1-十二烷基吡哆醛溴化物 is C20H34BrNO3.
What is the molecular weight of 1-十二烷基吡哆醛溴化物?
The molecular weight of 1-十二烷基吡哆醛溴化物 is 415.17 g/mol.
Where can I buy 1-十二烷基吡哆醛溴化物?
You can request a quote for 1-十二烷基吡哆醛溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-十二烷基吡哆醛溴化物?
Yes, KEHONG BIO provides custom synthesis services for 1-十二烷基吡哆醛溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.