4-Benzylpyridine
TL;DR: 4-Benzylpyridine (CAS 2116-65-6) is a chemical compound with molecular formula C12H11N and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylpyridine
Also Known As: 4-BENZYLPYRIDINE, Pyridine, 4-(phenylmethyl)-, Pyridine, 4-benzyl-, gamma-Benzylpyridine, 4-Benzyl-pyridine
| Molecular Formula | C12H11N |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.08914 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2116-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=NC=C2 |
| InChIKey | DBOLXXRVIFGDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylpyridine (CAS 2116-65-6), with molecular formula C12H11N and molecular weight 169.09 g/mol. IUPAC: 4-benzylpyridine.
Chemical Property Profile of 4-Benzylpyridine
Property Insights of 4-Benzylpyridine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylpyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 4-Benzylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylpyridine 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-Benzylpyridine?
The CAS number of 4-Benzylpyridine is 2116-65-6.
What is the molecular formula of 4-Benzylpyridine?
The molecular formula of 4-Benzylpyridine is C12H11N.
What is the molecular weight of 4-Benzylpyridine?
The molecular weight of 4-Benzylpyridine is 169.09 g/mol.
Where can I buy 4-Benzylpyridine?
You can request a quote for 4-Benzylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.