苯氧基(苯基)乙腈
TL;DR: 苯氧基(苯基)乙腈 (CAS 82744-84-1) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氧基(苯基)乙腈
2-phenoxy-2-phenylacetonitrile
Also Known As: phenoxy(phenyl)acetonitrile, phenoxyphenylacetonitrile, 2-phenoxy-2-phenylacetonitrile, 2-Phenyl-2-phenoxyacetonitrile, Benzeneacetonitrile, a-phenoxy-
| Molecular Formula | C14H11NO |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 82744-84-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)OC2=CC=CC=C2 |
| InChIKey | UMTRHZBMIRLIKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯氧基(苯基)乙腈 (CAS 82744-84-1), with molecular formula C14H11NO and molecular weight 209.08 g/mol. IUPAC: 2-phenoxy-2-phenylacetonitrile.
Chemical Property Profile of 苯氧基(苯基)乙腈
Property Insights of 苯氧基(苯基)乙腈
The XLogP value of 3.4 indicates that 苯氧基(苯基)乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 苯氧基(苯基)乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氧基(苯基)乙腈 has 0 hydrogen bond donor(s) and 2 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 苯氧基(苯基)乙腈?
The CAS number of 苯氧基(苯基)乙腈 is 82744-84-1.
What is the molecular formula of 苯氧基(苯基)乙腈?
The molecular formula of 苯氧基(苯基)乙腈 is C14H11NO.
What is the molecular weight of 苯氧基(苯基)乙腈?
The molecular weight of 苯氧基(苯基)乙腈 is 209.08 g/mol.
Where can I buy 苯氧基(苯基)乙腈?
You can request a quote for 苯氧基(苯基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氧基(苯基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 苯氧基(苯基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.