(4-Bromobutoxy)benzene
TL;DR: (4-Bromobutoxy)benzene (CAS 1200-03-9) is a chemical compound with molecular formula C10H13BrO and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutoxybenzene
Also Known As: (4-Bromobutoxy)benzene, 4-Phenoxybutyl bromide, 4-bromobutoxybenzene, 4-Bromobutyl phenyl ether, Benzene, (4-bromobutoxy)-
| Molecular Formula | C10H13BrO |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.01498 |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 1200-03-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCCBr |
| InChIKey | QBLISOIWPZSVIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromobutoxy)benzene (CAS 1200-03-9), with molecular formula C10H13BrO and molecular weight 228.01 g/mol. IUPAC: 4-bromobutoxybenzene.
Chemical Property Profile of (4-Bromobutoxy)benzene
Property Insights of (4-Bromobutoxy)benzene
The XLogP value of 3.8 indicates that (4-Bromobutoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, (4-Bromobutoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromobutoxy)benzene has 0 hydrogen bond donor(s) and 1 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-Bromobutoxy)benzene?
The CAS number of (4-Bromobutoxy)benzene is 1200-03-9.
What is the molecular formula of (4-Bromobutoxy)benzene?
The molecular formula of (4-Bromobutoxy)benzene is C10H13BrO.
What is the molecular weight of (4-Bromobutoxy)benzene?
The molecular weight of (4-Bromobutoxy)benzene is 228.01 g/mol.
Where can I buy (4-Bromobutoxy)benzene?
You can request a quote for (4-Bromobutoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromobutoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromobutoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.