beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile
TL;DR: beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile (CAS 51241-28-2) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
Also Known As: 3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile, 3-(2,4-dimethoxyphenyl)-3-hydroxy-propanenitrile, beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile, I(2)-Hydroxy-2,4-dimethoxybenzenepropanenitrile, Benzenepropanenitrile, beta-hydroxy-2,4-dimethoxy-
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.65088 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 370.58606 |
Chemical Identifiers
| CAS Number | 51241-28-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(CC#N)O)OC |
Product Overview
beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile (CAS 51241-28-2), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile.
Chemical Property Profile of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile
Property Insights of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile
The XLogP value of 1.65088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile. Following Lipinski's Rule of Five, beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile has 1 hydrogen bond donor(s) and 4 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 beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile?
The CAS number of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile is 51241-28-2.
What is the molecular formula of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile?
The molecular formula of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile is C11H13NO3.
What is the molecular weight of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile?
The molecular weight of beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile is 207.09 g/mol.
Where can I buy beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile?
You can request a quote for beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for beta-Hydroxy-2,4-dimethoxybenzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.