5-(2-Nitro-propenyl)-benzo(1,3)dioxole
TL;DR: 5-(2-Nitro-propenyl)-benzo(1,3)dioxole (CAS 62995-90-8) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole
Also Known As: 5-(2-Nitroprop-1-en-1-yl)benzo[d][1,3]dioxole, 5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole, 5-(2-nitroprop-1-enyl)-1,3-benzodioxole, 5- -1,3-BENZODIOXOLE, 5-(2-furyl)cyclohexane-1,3-dione
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.0528 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 439.04858 |
Chemical Identifiers
| CAS Number | 62995-90-8 |
|---|---|
| SMILES | C/C(=C\C1=CC2=C(C=C1)OCO2)/[N+](=O)[O-] |
Product Overview
5-(2-Nitro-propenyl)-benzo(1,3)dioxole (CAS 62995-90-8), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 5-[(E)-2-nitroprop-1-enyl]-1,3-benzodioxole.
Chemical Property Profile of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole
Property Insights of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole
The XLogP value of 2.0528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Nitro-propenyl)-benzo(1,3)dioxole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Nitro-propenyl)-benzo(1,3)dioxole. Following Lipinski's Rule of Five, 5-(2-Nitro-propenyl)-benzo(1,3)dioxole 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 5-(2-Nitro-propenyl)-benzo(1,3)dioxole?
The CAS number of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole is 62995-90-8.
What is the molecular formula of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole?
The molecular formula of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole is C10H9NO4.
What is the molecular weight of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole?
The molecular weight of 5-(2-Nitro-propenyl)-benzo(1,3)dioxole is 207.05 g/mol.
Where can I buy 5-(2-Nitro-propenyl)-benzo(1,3)dioxole?
You can request a quote for 5-(2-Nitro-propenyl)-benzo(1,3)dioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Nitro-propenyl)-benzo(1,3)dioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Nitro-propenyl)-benzo(1,3)dioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.