1-Bromo-3,3-dimethylbutane
TL;DR: 1-Bromo-3,3-dimethylbutane (CAS 1647-23-0) is a chemical compound with molecular formula CC(C)(C)CCBr and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,3-dimethylbutane
Also Known As: 1-Bromo-3,3-dimethylbutane, Neohexylbromide, Butane, 1-bromo-3,3-dimethyl-, 1-bromo-3,3-dimethyl-butane, BrCH2CH2C(CH3)3
| Molecular Formula | CC(C)(C)CCBr |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.02007 |
| Heavy Atoms | 7 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 1647-23-0 |
|---|---|
| SMILES | CC(C)(C)CCBr |
| InChIKey | ROKZAMCDHKVZIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3,3-dimethylbutane (CAS 1647-23-0), with molecular formula CC(C)(C)CCBr and molecular weight 164.02 g/mol. IUPAC: 1-bromo-3,3-dimethylbutane.
Chemical Property Profile of 1-Bromo-3,3-dimethylbutane
Property Insights of 1-Bromo-3,3-dimethylbutane
The XLogP value of 3.1 indicates that 1-Bromo-3,3-dimethylbutane 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-3,3-dimethylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,3-dimethylbutane 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-3,3-dimethylbutane?
The CAS number of 1-Bromo-3,3-dimethylbutane is 1647-23-0.
What is the molecular formula of 1-Bromo-3,3-dimethylbutane?
The molecular formula of 1-Bromo-3,3-dimethylbutane is CC(C)(C)CCBr.
What is the molecular weight of 1-Bromo-3,3-dimethylbutane?
The molecular weight of 1-Bromo-3,3-dimethylbutane is 164.02 g/mol.
Where can I buy 1-Bromo-3,3-dimethylbutane?
You can request a quote for 1-Bromo-3,3-dimethylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,3-dimethylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,3-dimethylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.