3-(2-Nitropropen-1-yl)-4-methoxybromobenzene
TL;DR: 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene (CAS 15804-76-9) is a chemical compound with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methoxy-2-(2-nitroprop-1-enyl)benzene
Also Known As: 3-(2-nitropropen-1-yl)-4-methoxybromobenzene, 4-bromo-1-methoxy-2-(2-nitroprop-1-enyl)benzene, 4-Bromo-1-methoxy-2-(2-nitro-1-propen-1-yl)benzene
| Molecular Formula | C10H10BrNO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 3.0952 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.9844 |
| Heavy Atoms | 15 |
| Complexity | 415.12857 |
Chemical Identifiers
| CAS Number | 15804-76-9 |
|---|---|
| SMILES | CC(=CC1=C(C=CC(=C1)Br)OC)[N+](=O)[O-] |
Product Overview
3-(2-Nitropropen-1-yl)-4-methoxybromobenzene (CAS 15804-76-9), with molecular formula C10H10BrNO3 and molecular weight 270.98 g/mol. IUPAC: 4-bromo-1-methoxy-2-(2-nitroprop-1-enyl)benzene.
Chemical Property Profile of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene
Property Insights of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene
The XLogP value of 3.0952 indicates that 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene 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 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene?
The CAS number of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene is 15804-76-9.
What is the molecular formula of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene?
The molecular formula of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene is C10H10BrNO3.
What is the molecular weight of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene?
The molecular weight of 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene is 270.98 g/mol.
Where can I buy 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene?
You can request a quote for 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitropropen-1-yl)-4-methoxybromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.