Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester
TL;DR: Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester (CAS 63867-08-3) is a chemical compound with molecular formula C8H12Br4O2 and molecular weight 455.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromoethyl 2-bromo-2-ethylbutanoate
Also Known As: Tribromoethyl 2-bromo-2-ethylbutyrate, 2,2,2-tribromoethyl 2-bromo-2-ethylbutanoate, 2-Bromo-2-ethylbutyric acid, ester with tribromoethanol, BUTYRIC ACID, 2-BROMO-2-ETHYL-, 2,2,2-TRIBROMOETHYL ESTER, 2-Bromo-2-ethylbutyric acid 2,2,2-tribromoethyl ester
| Molecular Formula | C8H12Br4O2 |
|---|---|
| Molecular Weight | 455.76 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.753 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 63867-08-3 |
|---|---|
| SMILES | CCC(CC)(C(=O)OCC(Br)(Br)Br)Br |
| InChIKey | CUWZHNSIPTVXMT-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester (CAS 63867-08-3), with molecular formula C8H12Br4O2 and molecular weight 455.76 g/mol. IUPAC: 2,2,2-tribromoethyl 2-bromo-2-ethylbutanoate.
Chemical Property Profile of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester
Property Insights of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester
The XLogP value of 4.9 indicates that Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester 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 Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester?
The CAS number of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester is 63867-08-3.
What is the molecular formula of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester?
The molecular formula of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester is C8H12Br4O2.
What is the molecular weight of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester?
The molecular weight of Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester is 455.76 g/mol.
Where can I buy Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester?
You can request a quote for Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.