![[2-Bromo-1-(3-methylbutoxy)ethyl]benzene structure](/static/products/6312/6312-47-6.webp)
[2-Bromo-1-(3-methylbutoxy)ethyl]benzene
TL;DR: [2-Bromo-1-(3-methylbutoxy)ethyl]benzene (CAS 6312-47-6) is a chemical compound with molecular formula C13H19BrO and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-1-(3-methylbutoxy)ethyl]benzene
Also Known As: [2-bromo-1-(3-methylbutoxy)ethyl]benzene|KST-1A6800|(2-bromo-1-(isopentyloxy)ethyl)benzene|6-chloro-1,2,8a-trimethyl-1,2,3,8a-tetrahydronaphthalene
| Molecular Formula | C13H19BrO |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.06192 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 6312-47-6 |
|---|---|
| SMILES | CC(C)CCOC(CBr)C1=CC=CC=C1 |
| InChIKey | RJJPOBGASDVUCK-UHFFFAOYSA-N |
Product Overview
[2-Bromo-1-(3-methylbutoxy)ethyl]benzene (CAS 6312-47-6), with molecular formula C13H19BrO and molecular weight 270.06 g/mol. IUPAC: [2-bromo-1-(3-methylbutoxy)ethyl]benzene.
Chemical Property Profile of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene
Property Insights of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene
The XLogP value of 4.1 indicates that [2-Bromo-1-(3-methylbutoxy)ethyl]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, [2-Bromo-1-(3-methylbutoxy)ethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Bromo-1-(3-methylbutoxy)ethyl]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 [2-Bromo-1-(3-methylbutoxy)ethyl]benzene?
The CAS number of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene is 6312-47-6.
What is the molecular formula of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene?
The molecular formula of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene is C13H19BrO.
What is the molecular weight of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene?
The molecular weight of [2-Bromo-1-(3-methylbutoxy)ethyl]benzene is 270.06 g/mol.
Where can I buy [2-Bromo-1-(3-methylbutoxy)ethyl]benzene?
You can request a quote for [2-Bromo-1-(3-methylbutoxy)ethyl]benzene 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-(3-methylbutoxy)ethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [2-Bromo-1-(3-methylbutoxy)ethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.