1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-
TL;DR: 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- (CAS 77566-54-2) 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-nitro-6-prop-2-enyl-1,3-benzodioxole
Also Known As: ICCB5_000153, 5-nitro-6-prop-2-enyl-1,3-benzodioxole, 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-, 4-allyl-5-nitro-1,2-methylenedioxybenzene, 5-NITRO-6-(PROP-2-EN-1-YL)-2H-1,3-BENZODIOXOLE
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.052 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 427.67572 |
Chemical Identifiers
| CAS Number | 77566-54-2 |
|---|---|
| SMILES | C=CCC1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
Product Overview
1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- (CAS 77566-54-2), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 5-nitro-6-prop-2-enyl-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-
Property Insights of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-
The XLogP value of 2.052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- 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 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-?
The CAS number of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- is 77566-54-2.
What is the molecular formula of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-?
The molecular formula of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- is C10H9NO4.
What is the molecular weight of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-?
The molecular weight of 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- is 207.05 g/mol.
Where can I buy 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-?
You can request a quote for 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-nitro-6-(2-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.