1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol
TL;DR: 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol (CAS 34277-50-4) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol
Also Known As: 1-(4,5-Dimethyl-1-oxido-2-pyridinyl)-1-butanol, 1-(4,5-dimethyl-1-oxy-pyridin-2-yl)-butan-1-ol, 4,5-Dimethyl-alpha-propyl-2-pyridinemethanol 1-oxide, 1-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol, 2-(1-hydroxybutyl)-4,5-dimethylpyridin-1-ium-1-olate
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 34277-50-4 |
|---|---|
| SMILES | CCCC(C1=[N+](C=C(C(=C1)C)C)[O-])O |
| InChIKey | PPBCCFBJEWJEAR-UHFFFAOYSA-N |
Product Overview
1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol (CAS 34277-50-4), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: 1-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol.
Chemical Property Profile of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol
Property Insights of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol. With a topological polar surface area (TPSA) of 45.7 Ų, 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol has 1 hydrogen bond donor(s) and 2 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-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol?
The CAS number of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol is 34277-50-4.
What is the molecular formula of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol?
The molecular formula of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol is C11H17NO2.
What is the molecular weight of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol?
The molecular weight of 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol is 195.13 g/mol.
Where can I buy 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol?
You can request a quote for 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Dimethyl-1-oxidopyridin-1-ium-2-yl)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.