1-Bromo-3,5,5-trimethylhexane
TL;DR: 1-Bromo-3,5,5-trimethylhexane (CAS 50915-80-5) is a chemical compound with molecular formula C9H19Br and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,5,5-trimethylhexane
Also Known As: 1-Bromo-3,5,5-trimethylhexane, 1-BROMO-3,5,5-TRIMETHYL HEXANE, 1-Brom-3,5,5-trimethyl-hexan, Hexane,1-bromo-3,5,5-trimethyl-, 3,5,5-TRIMETHYLHEXYL BROMIDE
| Molecular Formula | C9H19Br |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.06702 |
| Heavy Atoms | 10 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 50915-80-5 |
|---|---|
| SMILES | CC(CCBr)CC(C)(C)C |
| InChIKey | JUHBYLSCAJAHEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3,5,5-trimethylhexane (CAS 50915-80-5), with molecular formula C9H19Br and molecular weight 206.07 g/mol. IUPAC: 1-bromo-3,5,5-trimethylhexane.
Chemical Property Profile of 1-Bromo-3,5,5-trimethylhexane
Property Insights of 1-Bromo-3,5,5-trimethylhexane
The XLogP value of 4.4 indicates that 1-Bromo-3,5,5-trimethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-3,5,5-trimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,5,5-trimethylhexane has 0 hydrogen bond donor(s) and 0 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-Bromo-3,5,5-trimethylhexane?
The CAS number of 1-Bromo-3,5,5-trimethylhexane is 50915-80-5.
What is the molecular formula of 1-Bromo-3,5,5-trimethylhexane?
The molecular formula of 1-Bromo-3,5,5-trimethylhexane is C9H19Br.
What is the molecular weight of 1-Bromo-3,5,5-trimethylhexane?
The molecular weight of 1-Bromo-3,5,5-trimethylhexane is 206.07 g/mol.
Where can I buy 1-Bromo-3,5,5-trimethylhexane?
You can request a quote for 1-Bromo-3,5,5-trimethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,5,5-trimethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,5,5-trimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.