Acetic acid, tribromo, 1-methylbutyl ester
TL;DR: Acetic acid, tribromo, 1-methylbutyl ester (CAS 90380-68-0) is a chemical compound with molecular formula C7H11Br3O2 and molecular weight 363.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl 2,2,2-tribromoacetate
Also Known As: Pentan-2-yl tribromoacetate, pentan-2-yl 2,2,2-tribromoacetate, Acetic acid, tribromo, 1-methylbutyl ester, Acetic acid, tribromo-, 1-methylbutyl ester, Acetic acid,tribromo,1-methylbutyl ester
| Molecular Formula | C7H11Br3O2 |
|---|---|
| Molecular Weight | 363.83 g/mol |
| LogP | 3.5567 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.83093 |
| Heavy Atoms | 12 |
| Complexity | 153.2207 |
Chemical Identifiers
| CAS Number | 90380-68-0 |
|---|---|
| SMILES | CCCC(C)OC(=O)C(Br)(Br)Br |
Product Overview
Acetic acid, tribromo, 1-methylbutyl ester (CAS 90380-68-0), with molecular formula C7H11Br3O2 and molecular weight 363.83 g/mol. IUPAC: pentan-2-yl 2,2,2-tribromoacetate.
Chemical Property Profile of Acetic acid, tribromo, 1-methylbutyl ester
Property Insights of Acetic acid, tribromo, 1-methylbutyl ester
The XLogP value of 3.5567 indicates that Acetic acid, tribromo, 1-methylbutyl 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, Acetic acid, tribromo, 1-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, tribromo, 1-methylbutyl 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 Acetic acid, tribromo, 1-methylbutyl ester?
The CAS number of Acetic acid, tribromo, 1-methylbutyl ester is 90380-68-0.
What is the molecular formula of Acetic acid, tribromo, 1-methylbutyl ester?
The molecular formula of Acetic acid, tribromo, 1-methylbutyl ester is C7H11Br3O2.
What is the molecular weight of Acetic acid, tribromo, 1-methylbutyl ester?
The molecular weight of Acetic acid, tribromo, 1-methylbutyl ester is 363.83 g/mol.
Where can I buy Acetic acid, tribromo, 1-methylbutyl ester?
You can request a quote for Acetic acid, tribromo, 1-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, tribromo, 1-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, tribromo, 1-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.