Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester
TL;DR: Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester (CAS 64047-47-8) is a chemical compound with molecular formula C7H10Br4O2 and molecular weight 441.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-tribromoethyl 2-bromo-3-methylbutanoate
Also Known As: Tribromoethyl 2-bromoisovalerate, 2,2,2-tribromoethyl 2-bromo-3-methylbutanoate, 2-Bromoisovaleric acid, ester with tribromoethanol, 2-Bromoisovaleric acid 2,2,2-tribromoethyl ester, ISOVALERIC ACID, 2-BROMO-, 2,2,2-TRIBROMOETHYL ESTER
| Molecular Formula | C7H10Br4O2 |
|---|---|
| Molecular Weight | 441.74 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.73734 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 64047-47-8 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(Br)(Br)Br)Br |
| InChIKey | OSZOQLCMBZVJQQ-UHFFFAOYSA-N |
Product Overview
Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester (CAS 64047-47-8), with molecular formula C7H10Br4O2 and molecular weight 441.74 g/mol. IUPAC: 2,2,2-tribromoethyl 2-bromo-3-methylbutanoate.
Chemical Property Profile of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester
Property Insights of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester
The XLogP value of 4.6 indicates that Isovaleric acid, 2-bromo-, 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, Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaleric acid, 2-bromo-, 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 Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester?
The CAS number of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester is 64047-47-8.
What is the molecular formula of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester?
The molecular formula of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester is C7H10Br4O2.
What is the molecular weight of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester?
The molecular weight of Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester is 441.74 g/mol.
Where can I buy Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester?
You can request a quote for Isovaleric acid, 2-bromo-, 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 Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isovaleric acid, 2-bromo-, 2,2,2-tribromoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.