3-(3-Methoxyphenyl)-2-propenenitrile
TL;DR: 3-(3-Methoxyphenyl)-2-propenenitrile (CAS 28446-69-7) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)prop-2-enenitrile
Also Known As: m-Methoxycinnamonitrile, 3-METHOXYCINNAMONITRILE, 3-(3-methoxyphenyl)prop-2-enenitrile, CINNAMONITRILE, m-METHOXY-, 3-(3-Methoxyphenyl)-2-propenenitrile
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 28446-69-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C=CC#N |
| InChIKey | CDGKYGSIBOJVCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Methoxyphenyl)-2-propenenitrile (CAS 28446-69-7), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 3-(3-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3-Methoxyphenyl)-2-propenenitrile
Property Insights of 3-(3-Methoxyphenyl)-2-propenenitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxyphenyl)-2-propenenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(3-Methoxyphenyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methoxyphenyl)-2-propenenitrile 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 3-(3-Methoxyphenyl)-2-propenenitrile?
The CAS number of 3-(3-Methoxyphenyl)-2-propenenitrile is 28446-69-7.
What is the molecular formula of 3-(3-Methoxyphenyl)-2-propenenitrile?
The molecular formula of 3-(3-Methoxyphenyl)-2-propenenitrile is C10H9NO.
What is the molecular weight of 3-(3-Methoxyphenyl)-2-propenenitrile?
The molecular weight of 3-(3-Methoxyphenyl)-2-propenenitrile is 159.07 g/mol.
Where can I buy 3-(3-Methoxyphenyl)-2-propenenitrile?
You can request a quote for 3-(3-Methoxyphenyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methoxyphenyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxyphenyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.