4-(2-Isopropyl-5-methylphenoxy)benzonitrile
TL;DR: 4-(2-Isopropyl-5-methylphenoxy)benzonitrile (CAS 303066-53-7) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
Also Known As: 4-(2-isopropyl-5-methylphenoxy)benzonitrile, 4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile, Benzonitrile, 4-[5-methyl-2-(1-methylethyl)phenoxy]-
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 303066-53-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)C#N |
| InChIKey | VFELTWSIOLALSC-UHFFFAOYSA-N |
Product Overview
4-(2-Isopropyl-5-methylphenoxy)benzonitrile (CAS 303066-53-7), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile.
Chemical Property Profile of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile
Property Insights of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile
The XLogP value of 5.0 indicates that 4-(2-Isopropyl-5-methylphenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-(2-Isopropyl-5-methylphenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Isopropyl-5-methylphenoxy)benzonitrile 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-(2-Isopropyl-5-methylphenoxy)benzonitrile?
The CAS number of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile is 303066-53-7.
What is the molecular formula of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile?
The molecular formula of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile is C17H17NO.
What is the molecular weight of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile?
The molecular weight of 4-(2-Isopropyl-5-methylphenoxy)benzonitrile is 251.13 g/mol.
Where can I buy 4-(2-Isopropyl-5-methylphenoxy)benzonitrile?
You can request a quote for 4-(2-Isopropyl-5-methylphenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Isopropyl-5-methylphenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Isopropyl-5-methylphenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.