Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
TL;DR: Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester (CAS 24744-59-0) is a chemical compound with molecular formula C10H10Br2O3 and molecular weight 335.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate
Also Known As: Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester, ethyl 3,5-dibromo-4-hydroxyphenylacetate, ethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate, Ethyl (3,5-dibromo-4-hydroxyphenyl)acetate, 3,5-dibromo-4-hydroxyphenylacetic acid ethyl ester
| Molecular Formula | C10H10Br2O3 |
|---|---|
| Molecular Weight | 335.90 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.89966 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 24744-59-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=C(C(=C1)Br)O)Br |
| InChIKey | WEEHOMHCFCOQHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester (CAS 24744-59-0), with molecular formula C10H10Br2O3 and molecular weight 335.90 g/mol. IUPAC: ethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
Property Insights of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester
The XLogP value of 3.1 indicates that Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The CAS number of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is 24744-59-0.
What is the molecular formula of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The molecular formula of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is C10H10Br2O3.
What is the molecular weight of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
The molecular weight of Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester is 335.90 g/mol.
Where can I buy Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
You can request a quote for Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3,5-dibromo-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.