Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
TL;DR: Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate (CAS 2196-99-8) is a chemical compound with molecular formula C10H10Br2O4 and molecular weight 351.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
Also Known As: Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate, furan-2-carbohydrazide, Ethyl 2,4-dihydroxy-3,5-dibromo-6-methylbenzoate, ethyl 3,5-dibromo-2,4-dihydroxy-6-methyl benzoate, Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate #
| Molecular Formula | C10H10Br2O4 |
|---|---|
| Molecular Weight | 351.89 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.8946 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 2196-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1O)Br)O)Br)C |
| InChIKey | RVOPKMSNJRHIAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate (CAS 2196-99-8), with molecular formula C10H10Br2O4 and molecular weight 351.89 g/mol. IUPAC: ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
Property Insights of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate
The XLogP value of 3.7 indicates that Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate. Following Lipinski's Rule of Five, Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate has 2 hydrogen bond donor(s) and 4 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 Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate?
The CAS number of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate is 2196-99-8.
What is the molecular formula of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate?
The molecular formula of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate is C10H10Br2O4.
What is the molecular weight of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate?
The molecular weight of Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate is 351.89 g/mol.
Where can I buy Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate?
You can request a quote for Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dibromo-2,4-dihydroxy-6-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.