4-苯氧基丁腈
TL;DR: 4-苯氧基丁腈 (CAS 2243-43-8) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯氧基丁腈
4-phenoxybutanenitrile
Also Known As: 4-phenoxybutanenitrile, 4-Phenoxybutyronitrile, Butanenitrile,4-phenoxy-, gamma-phenoxybutyronitrile, 4-(Phenoxy)butyronitrile
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 2243-43-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCC#N |
| InChIKey | ZOLWCAUQCGRDGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯氧基丁腈 (CAS 2243-43-8), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 4-phenoxybutanenitrile.
Chemical Property Profile of 4-苯氧基丁腈
Property Insights of 4-苯氧基丁腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯氧基丁腈. With a topological polar surface area (TPSA) of 33.0 Ų, 4-苯氧基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-苯氧基丁腈 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 4-苯氧基丁腈?
The CAS number of 4-苯氧基丁腈 is 2243-43-8.
What is the molecular formula of 4-苯氧基丁腈?
The molecular formula of 4-苯氧基丁腈 is C10H11NO.
What is the molecular weight of 4-苯氧基丁腈?
The molecular weight of 4-苯氧基丁腈 is 161.08 g/mol.
Where can I buy 4-苯氧基丁腈?
You can request a quote for 4-苯氧基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-苯氧基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 4-苯氧基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.