![3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile structure](/static/products/2081/208191-64-4.webp)
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
TL;DR: 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile (CAS 208191-64-4) is a chemical compound with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
Also Known As: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile, 2-(Methylsulfonyl)-4-nitrophenol, 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropanenitrile, 3-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-oxopropanenitrile, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropanenitrile
| Molecular Formula | C15H17N3O3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 0.97318 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.12698 |
| Heavy Atoms | 21 |
| Complexity | 574.01685 |
Chemical Identifiers
| CAS Number | 208191-64-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N |
Product Overview
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile (CAS 208191-64-4), with molecular formula C15H17N3O3 and molecular weight 287.13 g/mol. IUPAC: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
Property Insights of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
The XLogP value of 0.97318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile?
The CAS number of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile is 208191-64-4.
What is the molecular formula of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile?
The molecular formula of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile is C15H17N3O3.
What is the molecular weight of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile?
The molecular weight of 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile is 287.13 g/mol.
Where can I buy 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile?
You can request a quote for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.