1-Bromo-3,4-dimethylpentane
TL;DR: 1-Bromo-3,4-dimethylpentane (CAS 100569-37-7) is a chemical compound with molecular formula C7H15Br and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,4-dimethylpentane
Also Known As: 1-Bromo-3,4-dimethylpentane, 1-Brom-3,4-dimethylpentan, 1-bromo-3,4-dimethyl-pentane, Pentane, 1-bromo-3,4-dimethyl-, 1-Bromo-3,4-dimethylpentane #
| Molecular Formula | C7H15Br |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.0357 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 100569-37-7 |
|---|---|
| SMILES | CC(C)C(C)CCBr |
| InChIKey | FPYOHXBSIZXFCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3,4-dimethylpentane (CAS 100569-37-7), with molecular formula C7H15Br and molecular weight 178.04 g/mol. IUPAC: 1-bromo-3,4-dimethylpentane.
Chemical Property Profile of 1-Bromo-3,4-dimethylpentane
Property Insights of 1-Bromo-3,4-dimethylpentane
The XLogP value of 3.5 indicates that 1-Bromo-3,4-dimethylpentane 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-3,4-dimethylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,4-dimethylpentane 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-3,4-dimethylpentane?
The CAS number of 1-Bromo-3,4-dimethylpentane is 100569-37-7.
What is the molecular formula of 1-Bromo-3,4-dimethylpentane?
The molecular formula of 1-Bromo-3,4-dimethylpentane is C7H15Br.
What is the molecular weight of 1-Bromo-3,4-dimethylpentane?
The molecular weight of 1-Bromo-3,4-dimethylpentane is 178.04 g/mol.
Where can I buy 1-Bromo-3,4-dimethylpentane?
You can request a quote for 1-Bromo-3,4-dimethylpentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,4-dimethylpentane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,4-dimethylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.