3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile (CAS 465501-03-5) is a chemical compound with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(4-hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile, alpha-[(4-Hydroxy-3-methoxyphenyl)methylene]-beta-oxo-1-piperidinepropanenitrile, I+/--[(4-Hydroxy-3-methoxyphenyl)methylene]-I(2)-oxo-1-piperidinepropanenitrile
| Molecular Formula | C16H18N2O3 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 2.32028 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.13174 |
| Heavy Atoms | 21 |
| Complexity | 596.0299 |
Chemical Identifiers
| CAS Number | 465501-03-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCCCC2)O |
Product Overview
3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile (CAS 465501-03-5), with molecular formula C16H18N2O3 and molecular weight 286.13 g/mol. IUPAC: 3-(4-hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
The XLogP value of 2.32028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile 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 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile is 465501-03-5.
What is the molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile is C16H18N2O3.
What is the molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile is 286.13 g/mol.
Where can I buy 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxy-3-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.