Pentane, 3-(bromomethyl)-
TL;DR: Pentane, 3-(bromomethyl)- (CAS 3814-34-4) 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.
3-(bromomethyl)pentane
Also Known As: 1-Bromo-2-ethylbutane, 3-(Bromomethyl)pentane, 2-Ethylbutyl bromide, Pentane, 3-(bromomethyl)-, 3-bromomethyl-pentane
| 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 | 31.0 |
Chemical Identifiers
| CAS Number | 3814-34-4 |
|---|---|
| SMILES | CCC(CC)CBr |
| InChIKey | KKGUMGWNFARLSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane, 3-(bromomethyl)- (CAS 3814-34-4), with molecular formula C6H13Br and molecular weight 164.02 g/mol. IUPAC: 3-(bromomethyl)pentane.
Chemical Property Profile of Pentane, 3-(bromomethyl)-
Property Insights of Pentane, 3-(bromomethyl)-
The XLogP value of 3.0 indicates that Pentane, 3-(bromomethyl)- 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, 3-(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane, 3-(bromomethyl)- 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, 3-(bromomethyl)-?
The CAS number of Pentane, 3-(bromomethyl)- is 3814-34-4.
What is the molecular formula of Pentane, 3-(bromomethyl)-?
The molecular formula of Pentane, 3-(bromomethyl)- is C6H13Br.
What is the molecular weight of Pentane, 3-(bromomethyl)-?
The molecular weight of Pentane, 3-(bromomethyl)- is 164.02 g/mol.
Where can I buy Pentane, 3-(bromomethyl)-?
You can request a quote for Pentane, 3-(bromomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane, 3-(bromomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pentane, 3-(bromomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.