4-Butoxybromobenzene
TL;DR: 4-Butoxybromobenzene (CAS 39969-57-8) 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.
1-bromo-4-butoxybenzene
Also Known As: 1-Bromo-4-butoxybenzene, p-Bromophenyl butyl ether, null, p-Butoxybromobenzene, 4-Butoxybromobenzene
| Molecular Formula | C10H13BrO |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01498 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 39969-57-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)Br |
| InChIKey | BOUVKHWPQNEXTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butoxybromobenzene (CAS 39969-57-8), with molecular formula C10H13BrO and molecular weight 228.01 g/mol. IUPAC: 1-bromo-4-butoxybenzene.
Chemical Property Profile of 4-Butoxybromobenzene
Property Insights of 4-Butoxybromobenzene
The XLogP value of 3.9 indicates that 4-Butoxybromobenzene 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-Butoxybromobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxybromobenzene 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-Butoxybromobenzene?
The CAS number of 4-Butoxybromobenzene is 39969-57-8.
What is the molecular formula of 4-Butoxybromobenzene?
The molecular formula of 4-Butoxybromobenzene is C10H13BrO.
What is the molecular weight of 4-Butoxybromobenzene?
The molecular weight of 4-Butoxybromobenzene is 228.01 g/mol.
Where can I buy 4-Butoxybromobenzene?
You can request a quote for 4-Butoxybromobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxybromobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxybromobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.