Benzonitrile, 3-(4-phenoxybutoxy)-
TL;DR: Benzonitrile, 3-(4-phenoxybutoxy)- (CAS 24723-33-9) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenoxybutoxy)benzonitrile
Also Known As: 3-(4-phenoxybutoxy)benzonitrile, Benzonitrile, 3-(4-phenoxybutoxy)-, Benzonitrile,3-(4-phenoxybutoxy)
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 24723-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCOC2=CC=CC(=C2)C#N |
| InChIKey | LYCNWYZGYJVVQG-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 3-(4-phenoxybutoxy)- (CAS 24723-33-9), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 3-(4-phenoxybutoxy)benzonitrile.
Chemical Property Profile of Benzonitrile, 3-(4-phenoxybutoxy)-
Property Insights of Benzonitrile, 3-(4-phenoxybutoxy)-
The XLogP value of 4.0 indicates that Benzonitrile, 3-(4-phenoxybutoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Benzonitrile, 3-(4-phenoxybutoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-(4-phenoxybutoxy)- 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 Benzonitrile, 3-(4-phenoxybutoxy)-?
The CAS number of Benzonitrile, 3-(4-phenoxybutoxy)- is 24723-33-9.
What is the molecular formula of Benzonitrile, 3-(4-phenoxybutoxy)-?
The molecular formula of Benzonitrile, 3-(4-phenoxybutoxy)- is C17H17NO2.
What is the molecular weight of Benzonitrile, 3-(4-phenoxybutoxy)-?
The molecular weight of Benzonitrile, 3-(4-phenoxybutoxy)- is 267.13 g/mol.
Where can I buy Benzonitrile, 3-(4-phenoxybutoxy)-?
You can request a quote for Benzonitrile, 3-(4-phenoxybutoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-(4-phenoxybutoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-(4-phenoxybutoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.