2-乙基己基溴
TL;DR: 2-乙基己基溴 (CAS 18908-66-2) is a chemical compound with molecular formula C8H17Br and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己基溴
3-(bromomethyl)heptane
Also Known As: 2-Ethylhexyl bromide, 3-(Bromomethyl)heptane, 1-Bromo-2-ethylhexane, 2-Ethylhexylbromide, Heptane, 3-(bromomethyl)-
| Molecular Formula | C8H17Br |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.05136 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Density | 1.086 @25 °C |
Chemical Identifiers
| CAS Number | 18908-66-2 |
|---|---|
| SMILES | CCCCC(CC)CBr |
| InChIKey | NZWIYPLSXWYKLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己基溴 (CAS 18908-66-2), with molecular formula C8H17Br and molecular weight 192.05 g/mol. IUPAC: 3-(bromomethyl)heptane.
Chemical Property Profile of 2-乙基己基溴
Property Insights of 2-乙基己基溴
The XLogP value of 4.5 indicates that 2-乙基己基溴 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-乙基己基溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己基溴 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 2-乙基己基溴?
The CAS number of 2-乙基己基溴 is 18908-66-2.
What is the molecular formula of 2-乙基己基溴?
The molecular formula of 2-乙基己基溴 is C8H17Br.
What is the molecular weight of 2-乙基己基溴?
The molecular weight of 2-乙基己基溴 is 192.05 g/mol.
Where can I buy 2-乙基己基溴?
You can request a quote for 2-乙基己基溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己基溴?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己基溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.