4-Isobutylpyridine
TL;DR: 4-Isobutylpyridine (CAS 4810-79-1) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropyl)pyridine
Also Known As: 4-Isobutylpyridine, 4-Isobutyl-pyridine, 4-(2-methylpropyl)pyridine, 4-sec-Butylpyridin, Pyridine,4-(2-methylpropyl)-
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 4810-79-1 |
|---|---|
| SMILES | CC(C)CC1=CC=NC=C1 |
| InChIKey | WACPXLKEEAMYCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isobutylpyridine (CAS 4810-79-1), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 4-(2-methylpropyl)pyridine.
Chemical Property Profile of 4-Isobutylpyridine
Property Insights of 4-Isobutylpyridine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobutylpyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Isobutylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isobutylpyridine 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 4-Isobutylpyridine?
The CAS number of 4-Isobutylpyridine is 4810-79-1.
What is the molecular formula of 4-Isobutylpyridine?
The molecular formula of 4-Isobutylpyridine is C9H13N.
What is the molecular weight of 4-Isobutylpyridine?
The molecular weight of 4-Isobutylpyridine is 135.10 g/mol.
Where can I buy 4-Isobutylpyridine?
You can request a quote for 4-Isobutylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isobutylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobutylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.