1-Bromo-2-methylpropane
TL;DR: 1-Bromo-2-methylpropane (CAS 78-77-3) is a chemical compound with molecular formula C4H9Br and molecular weight 135.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-methylpropane
Also Known As: 1-Bromo-2-methylpropane, ISOBUTYL BROMIDE, iso-Butyl bromide, Bromoisobutane, i-Butyl bromide
| Molecular Formula | C4H9Br |
|---|---|
| Molecular Weight | 135.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.98875 |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| Vapor Pressure | 72.0 [mmHg] |
Chemical Identifiers
| CAS Number | 78-77-3 |
|---|---|
| SMILES | CC(C)CBr |
| InChIKey | HLVFKOKELQSXIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-methylpropane (CAS 78-77-3), with molecular formula C4H9Br and molecular weight 135.99 g/mol. IUPAC: 1-bromo-2-methylpropane.
Chemical Property Profile of 1-Bromo-2-methylpropane
Property Insights of 1-Bromo-2-methylpropane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-methylpropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-methylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-methylpropane 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-2-methylpropane?
The CAS number of 1-Bromo-2-methylpropane is 78-77-3.
What is the molecular formula of 1-Bromo-2-methylpropane?
The molecular formula of 1-Bromo-2-methylpropane is C4H9Br.
What is the molecular weight of 1-Bromo-2-methylpropane?
The molecular weight of 1-Bromo-2-methylpropane is 135.99 g/mol.
Where can I buy 1-Bromo-2-methylpropane?
You can request a quote for 1-Bromo-2-methylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-methylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-methylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.