2-乙基丁酸2,2,2-三溴乙酯
TL;DR: 2-乙基丁酸2,2,2-三溴乙酯 (CAS 63867-17-4) is a chemical compound with molecular formula C8H13Br3O2 and molecular weight 377.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基丁酸2,2,2-三溴乙酯
2,2,2-tribromoethyl 2-ethylbutanoate
Also Known As: Tribromoethyl 2-ethylbutyrate, 2,2,2-tribromoethyl 2-ethylbutanoate, 2-Ethylbutyric acid, ester with tribromoethanol, BUTYRIC ACID, 2-ETHYL-, 2,2,2-TRIBROMOETHYL ESTER, 2-Ethylbutanoic acid 2,2,2-tribromoethyl ester
| Molecular Formula | C8H13Br3O2 |
|---|---|
| Molecular Weight | 377.85 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.8445 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 63867-17-4 |
|---|---|
| SMILES | CCC(CC)C(=O)OCC(Br)(Br)Br |
| InChIKey | KRTPZDITOONUEW-UHFFFAOYSA-N |
Product Overview
2-乙基丁酸2,2,2-三溴乙酯 (CAS 63867-17-4), with molecular formula C8H13Br3O2 and molecular weight 377.85 g/mol. IUPAC: 2,2,2-tribromoethyl 2-ethylbutanoate.
Chemical Property Profile of 2-乙基丁酸2,2,2-三溴乙酯
Property Insights of 2-乙基丁酸2,2,2-三溴乙酯
The XLogP value of 4.2 indicates that 2-乙基丁酸2,2,2-三溴乙酯 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-乙基丁酸2,2,2-三溴乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基丁酸2,2,2-三溴乙酯 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-乙基丁酸2,2,2-三溴乙酯?
The CAS number of 2-乙基丁酸2,2,2-三溴乙酯 is 63867-17-4.
What is the molecular formula of 2-乙基丁酸2,2,2-三溴乙酯?
The molecular formula of 2-乙基丁酸2,2,2-三溴乙酯 is C8H13Br3O2.
What is the molecular weight of 2-乙基丁酸2,2,2-三溴乙酯?
The molecular weight of 2-乙基丁酸2,2,2-三溴乙酯 is 377.85 g/mol.
Where can I buy 2-乙基丁酸2,2,2-三溴乙酯?
You can request a quote for 2-乙基丁酸2,2,2-三溴乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基丁酸2,2,2-三溴乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基丁酸2,2,2-三溴乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.