Ethyl 3-bromo-2-(bromomethyl)propionate
TL;DR: Ethyl 3-bromo-2-(bromomethyl)propionate (CAS 58539-11-0) is a chemical compound with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-2-(bromomethyl)propanoate
Also Known As: Ethyl 3-bromo-2-(bromomethyl)propanoate, Ethyl 3-bromo-2-(bromomethyl)propionate, zlchem 900, Ethyl3-bromo-2- propionate, Ethyl3-bromo-2-(bromomethyl)propionate
| Molecular Formula | C6H10Br2O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.90475 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 58539-11-0 |
|---|---|
| SMILES | CCOC(=O)C(CBr)CBr |
| InChIKey | GKSCTYSHDIGNGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-bromo-2-(bromomethyl)propionate (CAS 58539-11-0), with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol. IUPAC: ethyl 3-bromo-2-(bromomethyl)propanoate.
Chemical Property Profile of Ethyl 3-bromo-2-(bromomethyl)propionate
Property Insights of Ethyl 3-bromo-2-(bromomethyl)propionate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-2-(bromomethyl)propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-bromo-2-(bromomethyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-bromo-2-(bromomethyl)propionate 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 Ethyl 3-bromo-2-(bromomethyl)propionate?
The CAS number of Ethyl 3-bromo-2-(bromomethyl)propionate is 58539-11-0.
What is the molecular formula of Ethyl 3-bromo-2-(bromomethyl)propionate?
The molecular formula of Ethyl 3-bromo-2-(bromomethyl)propionate is C6H10Br2O2.
What is the molecular weight of Ethyl 3-bromo-2-(bromomethyl)propionate?
The molecular weight of Ethyl 3-bromo-2-(bromomethyl)propionate is 271.90 g/mol.
Where can I buy Ethyl 3-bromo-2-(bromomethyl)propionate?
You can request a quote for Ethyl 3-bromo-2-(bromomethyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-bromo-2-(bromomethyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromo-2-(bromomethyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.