2-叔丁基吡啶
TL;DR: 2-叔丁基吡啶 (CAS 118676-08-7) 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.
2-叔丁基吡啶
2-tert-butylpyridine
Also Known As: 2-tert-Butylpyridine, 2-(tert-butyl)pyridine, t-Butylpyridine, Terbutylazine, 2-t-Butylpyridine
| 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 | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 118676-08-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=N1 |
| InChIKey | UUIMDJFBHNDZOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-叔丁基吡啶 (CAS 118676-08-7), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 2-tert-butylpyridine.
Chemical Property Profile of 2-叔丁基吡啶
Property Insights of 2-叔丁基吡啶
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-叔丁基吡啶. With a topological polar surface area (TPSA) of 12.9 Ų, 2-叔丁基吡啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-叔丁基吡啶?
The CAS number of 2-叔丁基吡啶 is 118676-08-7.
What is the molecular formula of 2-叔丁基吡啶?
The molecular formula of 2-叔丁基吡啶 is C9H13N.
What is the molecular weight of 2-叔丁基吡啶?
The molecular weight of 2-叔丁基吡啶 is 135.10 g/mol.
Where can I buy 2-叔丁基吡啶?
You can request a quote for 2-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 2-叔丁基吡啶?
Yes, KEHONG BIO provides custom synthesis services for 2-叔丁基吡啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.