1-(4-Bromobutoxy)-4-nitrobenzene
TL;DR: 1-(4-Bromobutoxy)-4-nitrobenzene (CAS 55502-03-9) is a chemical compound with molecular formula C10H12BrNO3 and molecular weight 273.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromobutoxy)-4-nitrobenzene
Also Known As: 1-(4-bromobutoxy)-4-nitrobenzene, 4-Nitrophenoxybutyl bromide, 1- -4-NITROBENZENE, RefChem:224858
| Molecular Formula | C10H12BrNO3 |
|---|---|
| Molecular Weight | 273.00 g/mol |
| LogP | 3.1487 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.00006 |
| Heavy Atoms | 15 |
| Complexity | 312.94846 |
Chemical Identifiers
| CAS Number | 55502-03-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr |
Product Overview
1-(4-Bromobutoxy)-4-nitrobenzene (CAS 55502-03-9), with molecular formula C10H12BrNO3 and molecular weight 273.00 g/mol. IUPAC: 1-(4-bromobutoxy)-4-nitrobenzene.
Chemical Property Profile of 1-(4-Bromobutoxy)-4-nitrobenzene
Property Insights of 1-(4-Bromobutoxy)-4-nitrobenzene
The XLogP value of 3.1487 indicates that 1-(4-Bromobutoxy)-4-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-Bromobutoxy)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobutoxy)-4-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-Bromobutoxy)-4-nitrobenzene?
The CAS number of 1-(4-Bromobutoxy)-4-nitrobenzene is 55502-03-9.
What is the molecular formula of 1-(4-Bromobutoxy)-4-nitrobenzene?
The molecular formula of 1-(4-Bromobutoxy)-4-nitrobenzene is C10H12BrNO3.
What is the molecular weight of 1-(4-Bromobutoxy)-4-nitrobenzene?
The molecular weight of 1-(4-Bromobutoxy)-4-nitrobenzene is 273.00 g/mol.
Where can I buy 1-(4-Bromobutoxy)-4-nitrobenzene?
You can request a quote for 1-(4-Bromobutoxy)-4-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-Bromobutoxy)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobutoxy)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.