2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile
TL;DR: 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile (CAS 102584-95-2) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-methylpentanenitrile
Also Known As: 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile, 2-(3,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-methylpentanenitrile, Valeronitrile, 2-(3,4-dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methyl-
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.77848 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 703.26245 |
Chemical Identifiers
| CAS Number | 102584-95-2 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(C)(C#N)C2=CC(=C(C=C2)O)O |
Product Overview
2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile (CAS 102584-95-2), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-methylpentanenitrile.
Chemical Property Profile of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile
Property Insights of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile
The XLogP value of 3.77848 indicates that 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile has 3 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 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile?
The CAS number of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile is 102584-95-2.
What is the molecular formula of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile?
The molecular formula of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile is C18H19NO3.
What is the molecular weight of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile?
The molecular weight of 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile is 297.14 g/mol.
Where can I buy 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile?
You can request a quote for 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydroxyphenyl)-3-(p-hydroxyphenyl)-2-methylvaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.