1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene
TL;DR: 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene (CAS 31558-33-5) is a chemical compound with molecular formula C11H12BrNO4 and molecular weight 300.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene
Also Known As: Benzene, 1-bromo-2,5-dimethoxy-4-(2-nitro-1-propen-1-yl)-
| Molecular Formula | C11H12BrNO4 |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.99496 |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 31558-33-5 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C=C1OC)Br)OC)[N+](=O)[O-] |
| InChIKey | MDPOKMRMOBDEIE-UHFFFAOYSA-N |
Product Overview
1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene (CAS 31558-33-5), with molecular formula C11H12BrNO4 and molecular weight 300.99 g/mol. IUPAC: 1-bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene
Property Insights of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene
The XLogP value of 3.5 indicates that 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene. Following Lipinski's Rule of Five, 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene 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-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene?
The CAS number of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene is 31558-33-5.
What is the molecular formula of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene?
The molecular formula of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene is C11H12BrNO4.
What is the molecular weight of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene?
The molecular weight of 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene is 300.99 g/mol.
Where can I buy 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene?
You can request a quote for 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.