3-(4-Hydroxyphenyl)acrylonitrile
TL;DR: 3-(4-Hydroxyphenyl)acrylonitrile (CAS 82628-73-7) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyphenyl)prop-2-enenitrile
Also Known As: p-Hydroxycinnamonitrile, P-Hydroxycinnamylnitrile, 3-(4-Hydroxyphenyl)acrylonitrile, 3-(4-Hydroxyphenyl)-2-propenenitrile, 3-(4-hydroxyphenyl)prop-2-enenitrile
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.92898 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 292.33392 |
Chemical Identifiers
| CAS Number | 82628-73-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC#N)O |
Product Overview
3-(4-Hydroxyphenyl)acrylonitrile (CAS 82628-73-7), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 3-(4-hydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-Hydroxyphenyl)acrylonitrile
Property Insights of 3-(4-Hydroxyphenyl)acrylonitrile
The XLogP value of 1.92898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxyphenyl)acrylonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3-(4-Hydroxyphenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Hydroxyphenyl)acrylonitrile has 1 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-(4-Hydroxyphenyl)acrylonitrile?
The CAS number of 3-(4-Hydroxyphenyl)acrylonitrile is 82628-73-7.
What is the molecular formula of 3-(4-Hydroxyphenyl)acrylonitrile?
The molecular formula of 3-(4-Hydroxyphenyl)acrylonitrile is C9H7NO.
What is the molecular weight of 3-(4-Hydroxyphenyl)acrylonitrile?
The molecular weight of 3-(4-Hydroxyphenyl)acrylonitrile is 145.05 g/mol.
Where can I buy 3-(4-Hydroxyphenyl)acrylonitrile?
You can request a quote for 3-(4-Hydroxyphenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxyphenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxyphenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.