2-Methyl-3-phenylprop-2-enenitrile
TL;DR: 2-Methyl-3-phenylprop-2-enenitrile (CAS 1197-33-7) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylprop-2-enenitrile
Also Known As: 2-Methylcinnamonitrile, alpha-methylcinnamonitrile, 2 - methylcinnamonitrile, 2-methyl-3-phenylprop-2-enenitrile, 2-Propenenitrile, 2-methyl-3-phenyl-
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 1197-33-7 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C#N |
| InChIKey | MSOYJTDJKBEDPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-phenylprop-2-enenitrile (CAS 1197-33-7), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 2-methyl-3-phenylprop-2-enenitrile.
Chemical Property Profile of 2-Methyl-3-phenylprop-2-enenitrile
Property Insights of 2-Methyl-3-phenylprop-2-enenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-phenylprop-2-enenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Methyl-3-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-phenylprop-2-enenitrile 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 2-Methyl-3-phenylprop-2-enenitrile?
The CAS number of 2-Methyl-3-phenylprop-2-enenitrile is 1197-33-7.
What is the molecular formula of 2-Methyl-3-phenylprop-2-enenitrile?
The molecular formula of 2-Methyl-3-phenylprop-2-enenitrile is C10H9N.
What is the molecular weight of 2-Methyl-3-phenylprop-2-enenitrile?
The molecular weight of 2-Methyl-3-phenylprop-2-enenitrile is 143.07 g/mol.
Where can I buy 2-Methyl-3-phenylprop-2-enenitrile?
You can request a quote for 2-Methyl-3-phenylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-phenylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.