![1-[(4-Bromophenoxy)methyl]-3-nitrobenzene structure](/static/products/6944/694451-55-3.webp)
1-[(4-Bromophenoxy)methyl]-3-nitrobenzene
TL;DR: 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene (CAS 694451-55-3) is a chemical compound with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenoxy)methyl]-3-nitrobenzene
Also Known As: 1-[(4-bromophenoxy)methyl]-3-nitrobenzene, 1-(4-bromophenoxymethyl)-3-nitrobenzene, 4-bromo-1-[(3-nitrophenyl)methoxy]benzene
| Molecular Formula | C13H10BrNO3 |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 3.9363 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.9844 |
| Heavy Atoms | 18 |
| Complexity | 554.4177 |
Chemical Identifiers
| CAS Number | 694451-55-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=C(C=C2)Br |
Product Overview
1-[(4-Bromophenoxy)methyl]-3-nitrobenzene (CAS 694451-55-3), with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol. IUPAC: 1-[(4-bromophenoxy)methyl]-3-nitrobenzene.
Chemical Property Profile of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene
Property Insights of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene
The XLogP value of 3.9363 indicates that 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene 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 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene?
The CAS number of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene is 694451-55-3.
What is the molecular formula of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene?
The molecular formula of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene is C13H10BrNO3.
What is the molecular weight of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene?
The molecular weight of 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene is 306.98 g/mol.
Where can I buy 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene?
You can request a quote for 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Bromophenoxy)methyl]-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.