2-Benzylpyridine 1-oxide
TL;DR: 2-Benzylpyridine 1-oxide (CAS 1018-32-2) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-oxidopyridin-1-ium
Also Known As: 2-benzylpyridine 1-oxide, 2-benzyl-pyridin-3-ol, Dalfampridine Impurity 4, 2-benzylpyridine N-oxide, 2-benzylpyridine-N-oxide
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 1018-32-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=[N+]2[O-] |
| InChIKey | PGROZZNFAMSNJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylpyridine 1-oxide (CAS 1018-32-2), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 2-benzyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-Benzylpyridine 1-oxide
Property Insights of 2-Benzylpyridine 1-oxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylpyridine 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 2-Benzylpyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylpyridine 1-oxide 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-Benzylpyridine 1-oxide?
The CAS number of 2-Benzylpyridine 1-oxide is 1018-32-2.
What is the molecular formula of 2-Benzylpyridine 1-oxide?
The molecular formula of 2-Benzylpyridine 1-oxide is C12H11NO.
What is the molecular weight of 2-Benzylpyridine 1-oxide?
The molecular weight of 2-Benzylpyridine 1-oxide is 185.08 g/mol.
Where can I buy 2-Benzylpyridine 1-oxide?
You can request a quote for 2-Benzylpyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylpyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylpyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.