4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
TL;DR: 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile (CAS 6965-79-3) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile
Also Known As: 4-Methyl-gamma-(1-methylethoxy)benzenebutyronitrile, 4-methyl-gamma- benzenebutyronitrile, 4-(4-methylphenyl)-4-(propan-2-yloxy)butanenitrile, 4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile, 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 6965-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCC#N)OC(C)C |
| InChIKey | AFVNASUMPFJDPV-UHFFFAOYSA-N |
Product Overview
4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile (CAS 6965-79-3), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile.
Chemical Property Profile of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
Property Insights of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile 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-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile?
The CAS number of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile is 6965-79-3.
What is the molecular formula of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile?
The molecular formula of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile is C14H19NO.
What is the molecular weight of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile?
The molecular weight of 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile is 217.15 g/mol.
Where can I buy 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile?
You can request a quote for 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-gamma-(1-methylethoxy)benzenebutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.