2-Ethylhexyl 2-bromopropanoate
TL;DR: 2-Ethylhexyl 2-bromopropanoate (CAS 130841-38-2) 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 2-bromopropanoate
Also Known As: 2-Ethylhexyl 2-bromopropanoate, 2-Ethylhexyl 2-bromopropanoate #, 2-Bromopropionic acid, 2-ethylhexyl ester
| Molecular Formula | C11H21BrO2 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.07248 |
| Heavy Atoms | 14 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 130841-38-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C(C)Br |
| InChIKey | CAMYLFUQIWAANE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl 2-bromopropanoate (CAS 130841-38-2), with molecular formula C11H21BrO2 and molecular weight 264.07 g/mol. IUPAC: 2-ethylhexyl 2-bromopropanoate.
Chemical Property Profile of 2-Ethylhexyl 2-bromopropanoate
Property Insights of 2-Ethylhexyl 2-bromopropanoate
The XLogP value of 4.4 indicates that 2-Ethylhexyl 2-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 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 2-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 2-bromopropanoate?
The CAS number of 2-Ethylhexyl 2-bromopropanoate is 130841-38-2.
What is the molecular formula of 2-Ethylhexyl 2-bromopropanoate?
The molecular formula of 2-Ethylhexyl 2-bromopropanoate is C11H21BrO2.
What is the molecular weight of 2-Ethylhexyl 2-bromopropanoate?
The molecular weight of 2-Ethylhexyl 2-bromopropanoate is 264.07 g/mol.
Where can I buy 2-Ethylhexyl 2-bromopropanoate?
You can request a quote for 2-Ethylhexyl 2-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 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.