Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate
TL;DR: Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate (CAS 219692-16-7) 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.
methyl 3-(3,5-dibromo-4-hydroxyphenyl)propanoate
Also Known As: Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate, J1.402.332A, Methyl 3,5-dibromo-4-hydroxybenzenepropanoate, Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propanoate, Benzenepropanoic acid, 3,5-dibromo-4-hydroxy-, methyl ester
| Molecular Formula | C10H10Br2O3 |
|---|---|
| Molecular Weight | 335.90 g/mol |
| LogP | 3.0 |
| 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 | 219692-16-7 |
|---|---|
| SMILES | COC(=O)CCC1=CC(=C(C(=C1)Br)O)Br |
| InChIKey | IBUFNGTUGHYRMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate (CAS 219692-16-7), with molecular formula C10H10Br2O3 and molecular weight 335.90 g/mol. IUPAC: methyl 3-(3,5-dibromo-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate
Property Insights of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate
The XLogP value of 3.0 indicates that Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate 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 Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate?
The CAS number of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate is 219692-16-7.
What is the molecular formula of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate?
The molecular formula of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate is C10H10Br2O3.
What is the molecular weight of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate?
The molecular weight of Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate is 335.90 g/mol.
Where can I buy Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate?
You can request a quote for Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.