3-Butyl-1-oxidopyridin-1-ium
TL;DR: 3-Butyl-1-oxidopyridin-1-ium (CAS 31396-33-5) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-oxidopyridin-1-ium
Also Known As: 3-Butylpyridine 1-oxide, 3-Butylpyridine1-oxide, 3-butyl-1-oxidopyridin-1-ium, 3-butylpyridin-1-ium-1-olate, Pyridine, 3-butyl-, 1-oxide
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 31396-33-5 |
|---|---|
| SMILES | CCCCC1=C[N+](=CC=C1)[O-] |
| InChIKey | FFEBYOQFJJDYED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyl-1-oxidopyridin-1-ium (CAS 31396-33-5), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 3-butyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 3-Butyl-1-oxidopyridin-1-ium
Property Insights of 3-Butyl-1-oxidopyridin-1-ium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1-oxidopyridin-1-ium. With a topological polar surface area (TPSA) of 25.5 Ų, 3-Butyl-1-oxidopyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1-oxidopyridin-1-ium has 0 hydrogen bond donor(s) and 1 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 3-Butyl-1-oxidopyridin-1-ium?
The CAS number of 3-Butyl-1-oxidopyridin-1-ium is 31396-33-5.
What is the molecular formula of 3-Butyl-1-oxidopyridin-1-ium?
The molecular formula of 3-Butyl-1-oxidopyridin-1-ium is C9H13NO.
What is the molecular weight of 3-Butyl-1-oxidopyridin-1-ium?
The molecular weight of 3-Butyl-1-oxidopyridin-1-ium is 151.10 g/mol.
Where can I buy 3-Butyl-1-oxidopyridin-1-ium?
You can request a quote for 3-Butyl-1-oxidopyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-1-oxidopyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-oxidopyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.