Butanoic acid, 4,4,4-tribromo-, ethyl ester
TL;DR: Butanoic acid, 4,4,4-tribromo-, ethyl ester (CAS 62160-36-5) is a chemical compound with molecular formula C6H9Br3O2 and molecular weight 349.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-tribromobutanoate
Also Known As: ethyl 4,4,4-tribromobutanoate, Butanoic acid, 4,4,4-tribromo-, ethyl ester
| Molecular Formula | C6H9Br3O2 |
|---|---|
| Molecular Weight | 349.82 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.81528 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 62160-36-5 |
|---|---|
| SMILES | CCOC(=O)CCC(Br)(Br)Br |
| InChIKey | WKDPDIGWGYZSTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4,4,4-tribromo-, ethyl ester (CAS 62160-36-5), with molecular formula C6H9Br3O2 and molecular weight 349.82 g/mol. IUPAC: ethyl 4,4,4-tribromobutanoate.
Chemical Property Profile of Butanoic acid, 4,4,4-tribromo-, ethyl ester
Property Insights of Butanoic acid, 4,4,4-tribromo-, ethyl ester
The XLogP value of 3.1 indicates that Butanoic acid, 4,4,4-tribromo-, ethyl 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, Butanoic acid, 4,4,4-tribromo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4,4,4-tribromo-, ethyl 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 Butanoic acid, 4,4,4-tribromo-, ethyl ester?
The CAS number of Butanoic acid, 4,4,4-tribromo-, ethyl ester is 62160-36-5.
What is the molecular formula of Butanoic acid, 4,4,4-tribromo-, ethyl ester?
The molecular formula of Butanoic acid, 4,4,4-tribromo-, ethyl ester is C6H9Br3O2.
What is the molecular weight of Butanoic acid, 4,4,4-tribromo-, ethyl ester?
The molecular weight of Butanoic acid, 4,4,4-tribromo-, ethyl ester is 349.82 g/mol.
Where can I buy Butanoic acid, 4,4,4-tribromo-, ethyl ester?
You can request a quote for Butanoic acid, 4,4,4-tribromo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4,4,4-tribromo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4,4,4-tribromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.