![4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole structure](/static/products/820/82040-73-1.png)
4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole
TL;DR: 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole (CAS 82040-73-1) is a chemical compound with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole
Also Known As: 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole, 4-Bromo-6-[(1Z)-2-nitroprop-1-en-1-yl]-2H-1,3-benzodioxole
| Molecular Formula | C10H8BrNO4 |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 2.8153 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.96368 |
| Heavy Atoms | 16 |
| Complexity | 483.9525 |
Chemical Identifiers
| CAS Number | 82040-73-1 |
|---|---|
| SMILES | C/C(=C/C1=CC2=C(C(=C1)Br)OCO2)/[N+](=O)[O-] |
Product Overview
4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole (CAS 82040-73-1), with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol. IUPAC: 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole.
Chemical Property Profile of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole
Property Insights of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole
The XLogP value of 2.8153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole. Following Lipinski's Rule of Five, 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole 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 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole?
The CAS number of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole is 82040-73-1.
What is the molecular formula of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole?
The molecular formula of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole is C10H8BrNO4.
What is the molecular weight of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole?
The molecular weight of 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole is 284.96 g/mol.
Where can I buy 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole?
You can request a quote for 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-6-[(Z)-2-nitroprop-1-enyl]-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.