3-(2-Hydroxy-4-methoxyphenyl)propanenitrile
TL;DR: 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile (CAS 959334-53-3) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-4-methoxyphenyl)propanenitrile
Also Known As: 4-Methoxymelilotonitrile, 3-(2-hydroxy-4-methoxyphenyl)propanenitrile, 3-(2-hydroxy-4-methoxy-phenyl)propanenitrile
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 959334-53-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)CCC#N)O |
| InChIKey | LZFORNSZLQBQEP-UHFFFAOYSA-N |
Product Overview
3-(2-Hydroxy-4-methoxyphenyl)propanenitrile (CAS 959334-53-3), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 3-(2-hydroxy-4-methoxyphenyl)propanenitrile.
Chemical Property Profile of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile
Property Insights of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile has 1 hydrogen bond donor(s) and 3 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-(2-Hydroxy-4-methoxyphenyl)propanenitrile?
The CAS number of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile is 959334-53-3.
What is the molecular formula of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile?
The molecular formula of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile is C10H11NO2.
What is the molecular weight of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile?
The molecular weight of 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile is 177.08 g/mol.
Where can I buy 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile?
You can request a quote for 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxy-4-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.