![2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile structure](/static/products/924/924072-98-0.png)
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile (CAS 924072-98-0) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile, 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5-nitrobenzonitrile, 2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile, 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-nitrobenzonitrile, 2-4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl-5-nitrobenzonitrile
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.51738 |
| Topological Polar Surface Area | 91.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 916.4111 |
Chemical Identifiers
| CAS Number | 924072-98-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile (CAS 924072-98-0), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile
The XLogP value of 2.51738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile. The TPSA of 91.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile has 0 hydrogen bond donor(s) and 7 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-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile is 924072-98-0.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile is C19H18N4O4.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile is 366.13 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.