4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene
TL;DR: 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene (CAS 175205-14-8) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methoxy-2-(2-nitroethenyl)benzene
Also Known As: Maybridge1_007039, 4-bromo-1-methoxy-2-(2-nitroethenyl)benzene, 5-Bromo-2-methoxy-omega-nitrostyrene, 4-bromo-1-methoxy-2-(2-nitrovinyl)benzene, Benzene,4-bromo-1-methoxy-2-(2-nitroethenyl)-
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 175205-14-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C=C[N+](=O)[O-] |
| InChIKey | IAHCHTBHTXVKTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene (CAS 175205-14-8), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: 4-bromo-1-methoxy-2-(2-nitroethenyl)benzene.
Chemical Property Profile of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene
Property Insights of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene has 0 hydrogen bond donor(s) and 3 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-1-methoxy-2-(2-nitroethenyl)benzene?
The CAS number of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene is 175205-14-8.
What is the molecular formula of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene?
The molecular formula of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene is C9H8BrNO3.
What is the molecular weight of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene?
The molecular weight of 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene is 256.97 g/mol.
Where can I buy 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene?
You can request a quote for 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methoxy-2-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.