beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile
TL;DR: beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile (CAS 65-14-5) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(4-hydroxyphenyl)pentanenitrile
Also Known As: 2,3-Bis(p-hydroxyphenyl)valeronitrile, 2,3-bis(4-hydroxyphenyl)pentanenitrile, Valeronitrile, 2,3-bis(p-hydroxyphenyl)-, 2,3-Bis(4-hydroxyphenyl)valeronitrile, 2,3-bis(p-hydroxy-phenyl) valeronitrile
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 65-14-5 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(C#N)C2=CC=C(C=C2)O |
| InChIKey | MUSZSITXXJNLPD-UHFFFAOYSA-N |
Product Overview
beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile (CAS 65-14-5), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 2,3-bis(4-hydroxyphenyl)pentanenitrile.
Chemical Property Profile of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile
Property Insights of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile
The XLogP value of 3.7 indicates that beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile. Following Lipinski's Rule of Five, beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile has 2 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 beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile?
The CAS number of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile is 65-14-5.
What is the molecular formula of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile?
The molecular formula of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile is C17H17NO2.
What is the molecular weight of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile?
The molecular weight of beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile is 267.13 g/mol.
Where can I buy beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile?
You can request a quote for beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for beta-Ethyl-4-hydroxy-alpha-(4-hydroxyphenyl)benzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.