4-叔丁基吡啶
TL;DR: 4-叔丁基吡啶 (CAS 3978-81-2) 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-叔丁基吡啶
4-tert-butylpyridine
Also Known As: 4-tert-Butylpyridine, 4-(TERT-BUTYL)PYRIDINE, 4-t-butylpyridine, 4-tert-Butyl-pyridine, p-tert-Butyl pyridine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| Melting Point | -41 °C |
| Boiling Point | 196.5 °C @760 [mm Hg] |
| Density | 0.915 @25 °C |
| Vapor Pressure | 0.97 [mmHg] |
Chemical Identifiers
| CAS Number | 3978-81-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=NC=C1 |
| InChIKey | YSHMQTRICHYLGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔丁基吡啶 (CAS 3978-81-2), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 4-tert-butylpyridine.
Chemical Property Profile of 4-叔丁基吡啶
Property Insights of 4-叔丁基吡啶
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-叔丁基吡啶. With a topological polar surface area (TPSA) of 12.9 Ų, 4-叔丁基吡啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔丁基吡啶 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-叔丁基吡啶?
The CAS number of 4-叔丁基吡啶 is 3978-81-2.
What is the molecular formula of 4-叔丁基吡啶?
The molecular formula of 4-叔丁基吡啶 is C9H13N.
What is the molecular weight of 4-叔丁基吡啶?
The molecular weight of 4-叔丁基吡啶 is 135.10 g/mol.
Where can I buy 4-叔丁基吡啶?
You can request a quote for 4-叔丁基吡啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基吡啶?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基吡啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.