2-苯氧基烟腈
TL;DR: 2-苯氧基烟腈 (CAS 14178-15-5) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯氧基烟腈
2-phenoxypyridine-3-carbonitrile
Also Known As: 2-Phenoxynicotinonitrile, 3-Cyano-2-phenoxypyridine, 2-Phenoxypyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 2-phenoxy-, Maybridge4_000328
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| Solubility | 25.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 14178-15-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC=N2)C#N |
| InChIKey | KMQFYNLYTMIJPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯氧基烟腈 (CAS 14178-15-5), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 2-phenoxypyridine-3-carbonitrile.
Chemical Property Profile of 2-苯氧基烟腈
Property Insights of 2-苯氧基烟腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯氧基烟腈. With a topological polar surface area (TPSA) of 45.9 Ų, 2-苯氧基烟腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯氧基烟腈 has 0 hydrogen bond donor(s) and 3 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-苯氧基烟腈?
The CAS number of 2-苯氧基烟腈 is 14178-15-5.
What is the molecular formula of 2-苯氧基烟腈?
The molecular formula of 2-苯氧基烟腈 is C12H8N2O.
What is the molecular weight of 2-苯氧基烟腈?
The molecular weight of 2-苯氧基烟腈 is 196.06 g/mol.
Where can I buy 2-苯氧基烟腈?
You can request a quote for 2-苯氧基烟腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯氧基烟腈?
Yes, KEHONG BIO provides custom synthesis services for 2-苯氧基烟腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.