2-Ethylhexyl 3-bromopropanoate
TL;DR: 2-Ethylhexyl 3-bromopropanoate (CAS 61692-13-5) is a chemical compound with molecular formula C11H21BrO2 and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-bromopropanoate
Also Known As: 4-Methyl-benzenepropanol, 2-ethylhexyl 3-bromopropanoate, Propanoic acid, 3-bromo-, 2-ethylhexyl ester
| Molecular Formula | C11H21BrO2 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 264.07248 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 61692-13-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCBr |
| InChIKey | AYPGMQQFBHTLGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl 3-bromopropanoate (CAS 61692-13-5), with molecular formula C11H21BrO2 and molecular weight 264.07 g/mol. IUPAC: 2-ethylhexyl 3-bromopropanoate.
Chemical Property Profile of 2-Ethylhexyl 3-bromopropanoate
Property Insights of 2-Ethylhexyl 3-bromopropanoate
The XLogP value of 3.9 indicates that 2-Ethylhexyl 3-bromopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylhexyl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 3-bromopropanoate has 0 hydrogen bond donor(s) and 2 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-Ethylhexyl 3-bromopropanoate?
The CAS number of 2-Ethylhexyl 3-bromopropanoate is 61692-13-5.
What is the molecular formula of 2-Ethylhexyl 3-bromopropanoate?
The molecular formula of 2-Ethylhexyl 3-bromopropanoate is C11H21BrO2.
What is the molecular weight of 2-Ethylhexyl 3-bromopropanoate?
The molecular weight of 2-Ethylhexyl 3-bromopropanoate is 264.07 g/mol.
Where can I buy 2-Ethylhexyl 3-bromopropanoate?
You can request a quote for 2-Ethylhexyl 3-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 3-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.