(5-Isopropyl-2-methylphenyl)acetonitrile
TL;DR: (5-Isopropyl-2-methylphenyl)acetonitrile (CAS 4478-11-9) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-propan-2-ylphenyl)acetonitrile
Also Known As: (5-Isopropyl-2-methylphenyl)acetonitrile, p-Cymene-2-acetonitrile (6CI,7CI,8CI), J1.413.266J, 2-(2-methyl-5-propan-2-ylphenyl)acetonitrile, 2-[2-methyl-5-(propan-2-yl)phenyl]acetonitrile
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 4478-11-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)CC#N |
| InChIKey | NNWLMNLQGZSYCR-UHFFFAOYSA-N |
Product Overview
(5-Isopropyl-2-methylphenyl)acetonitrile (CAS 4478-11-9), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-(2-methyl-5-propan-2-ylphenyl)acetonitrile.
Chemical Property Profile of (5-Isopropyl-2-methylphenyl)acetonitrile
Property Insights of (5-Isopropyl-2-methylphenyl)acetonitrile
The XLogP value of 3.1 indicates that (5-Isopropyl-2-methylphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (5-Isopropyl-2-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Isopropyl-2-methylphenyl)acetonitrile has 0 hydrogen bond donor(s) and 1 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 (5-Isopropyl-2-methylphenyl)acetonitrile?
The CAS number of (5-Isopropyl-2-methylphenyl)acetonitrile is 4478-11-9.
What is the molecular formula of (5-Isopropyl-2-methylphenyl)acetonitrile?
The molecular formula of (5-Isopropyl-2-methylphenyl)acetonitrile is C12H15N.
What is the molecular weight of (5-Isopropyl-2-methylphenyl)acetonitrile?
The molecular weight of (5-Isopropyl-2-methylphenyl)acetonitrile is 173.12 g/mol.
Where can I buy (5-Isopropyl-2-methylphenyl)acetonitrile?
You can request a quote for (5-Isopropyl-2-methylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Isopropyl-2-methylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Isopropyl-2-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.