Pentane, 1-bromo-4-methyl-
TL;DR: Pentane, 1-bromo-4-methyl- (CAS 626-88-0) is a chemical compound with molecular formula C6H13Br 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-4-methylpentane
Also Known As: 1-Bromo-4-methylpentane, 4-Methylpentyl bromide, Pentane, 1-bromo-4-methyl-, 1-bromo-4-methyl-pentane, null
| Molecular Formula | C6H13Br |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.02007 |
| Heavy Atoms | 7 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 626-88-0 |
|---|---|
| SMILES | CC(C)CCCBr |
| InChIKey | XZKFBZOAIGFZSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane, 1-bromo-4-methyl- (CAS 626-88-0), with molecular formula C6H13Br and molecular weight 164.02 g/mol. IUPAC: 1-bromo-4-methylpentane.
Chemical Property Profile of Pentane, 1-bromo-4-methyl-
Property Insights of Pentane, 1-bromo-4-methyl-
The XLogP value of 3.0 indicates that Pentane, 1-bromo-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentane, 1-bromo-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane, 1-bromo-4-methyl- 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 Pentane, 1-bromo-4-methyl-?
The CAS number of Pentane, 1-bromo-4-methyl- is 626-88-0.
What is the molecular formula of Pentane, 1-bromo-4-methyl-?
The molecular formula of Pentane, 1-bromo-4-methyl- is C6H13Br.
What is the molecular weight of Pentane, 1-bromo-4-methyl-?
The molecular weight of Pentane, 1-bromo-4-methyl- is 164.02 g/mol.
Where can I buy Pentane, 1-bromo-4-methyl-?
You can request a quote for Pentane, 1-bromo-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane, 1-bromo-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pentane, 1-bromo-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.