3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile (CAS 380560-95-2) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile, 3-(2H-1,3-benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.11178 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 679.9974 |
Chemical Identifiers
| CAS Number | 380560-95-2 |
|---|---|
| SMILES | CC1CCCC(N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N)C |
Product Overview
3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile (CAS 380560-95-2), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile
The XLogP value of 3.11178 indicates that 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile has 0 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-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile is 380560-95-2.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile is C18H20N2O3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile is 312.15 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-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-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-2-(2,6-dimethylpiperidine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.