2-Bromo-1-(4-bromobutoxy)-4-methylbenzene
TL;DR: 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene (CAS 76429-79-3) is a chemical compound with molecular formula C11H14Br2O and molecular weight 319.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-bromobutoxy)-4-methylbenzene
Also Known As: 2-bromo-1-(4-bromobutoxy)-4-methylbenzene, 1-Bromo-4-(2-bromo-4-methylphenoxy)butane, 2-Bromo-1-(4-bromo-butoxy)-4-methyl-benzene
| Molecular Formula | C11H14Br2O |
|---|---|
| Molecular Weight | 319.94 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.94113 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 76429-79-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCCCBr)Br |
| InChIKey | QVGOUHOPYHVHBD-UHFFFAOYSA-N |
Product Overview
2-Bromo-1-(4-bromobutoxy)-4-methylbenzene (CAS 76429-79-3), with molecular formula C11H14Br2O and molecular weight 319.94 g/mol. IUPAC: 2-bromo-1-(4-bromobutoxy)-4-methylbenzene.
Chemical Property Profile of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene
Property Insights of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene
The XLogP value of 4.4 indicates that 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene 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 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene?
The CAS number of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene is 76429-79-3.
What is the molecular formula of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene?
The molecular formula of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene is C11H14Br2O.
What is the molecular weight of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene?
The molecular weight of 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene is 319.94 g/mol.
Where can I buy 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene?
You can request a quote for 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(4-bromobutoxy)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.