4-Isopropylphenylacetonitrile
TL;DR: 4-Isopropylphenylacetonitrile (CAS 4395-87-3) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylphenyl)acetonitrile
Also Known As: 4-Isopropylphenylacetonitrile, 2-(4-Isopropylphenyl)acetonitrile, 4-Isopropylphenylaceotnitrile, 2-(4-propan-2-ylphenyl)acetonitrile, (4-isopropylphenyl)acetonitrile
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 4395-87-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CC#N |
| InChIKey | RIPHZOPMCRSGSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylphenylacetonitrile (CAS 4395-87-3), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 2-(4-propan-2-ylphenyl)acetonitrile.
Chemical Property Profile of 4-Isopropylphenylacetonitrile
Property Insights of 4-Isopropylphenylacetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylphenylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Isopropylphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylphenylacetonitrile 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 4-Isopropylphenylacetonitrile?
The CAS number of 4-Isopropylphenylacetonitrile is 4395-87-3.
What is the molecular formula of 4-Isopropylphenylacetonitrile?
The molecular formula of 4-Isopropylphenylacetonitrile is C11H13N.
What is the molecular weight of 4-Isopropylphenylacetonitrile?
The molecular weight of 4-Isopropylphenylacetonitrile is 159.10 g/mol.
Where can I buy 4-Isopropylphenylacetonitrile?
You can request a quote for 4-Isopropylphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.