Ethyl 2-bromo-3-hydroxypropanoate
TL;DR: Ethyl 2-bromo-3-hydroxypropanoate (CAS 20591-86-0) is a chemical compound with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-3-hydroxypropanoate
Also Known As: Ethyl 2-bromo-3-hydroxypropanoate, Ethyl2-bromo-3-hydroxypropanoate, Ethyl 2-bromo-3-hydroxypropanoate #, Propanoic acid, 2-bromo-3-hydroxy-, ethyl ester
| Molecular Formula | C5H9BrO3 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.97351 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 20591-86-0 |
|---|---|
| SMILES | CCOC(=O)C(CO)Br |
| InChIKey | HPCCEBOTEOTKOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-bromo-3-hydroxypropanoate (CAS 20591-86-0), with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol. IUPAC: ethyl 2-bromo-3-hydroxypropanoate.
Chemical Property Profile of Ethyl 2-bromo-3-hydroxypropanoate
Property Insights of Ethyl 2-bromo-3-hydroxypropanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-bromo-3-hydroxypropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 2-bromo-3-hydroxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromo-3-hydroxypropanoate 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 Ethyl 2-bromo-3-hydroxypropanoate?
The CAS number of Ethyl 2-bromo-3-hydroxypropanoate is 20591-86-0.
What is the molecular formula of Ethyl 2-bromo-3-hydroxypropanoate?
The molecular formula of Ethyl 2-bromo-3-hydroxypropanoate is C5H9BrO3.
What is the molecular weight of Ethyl 2-bromo-3-hydroxypropanoate?
The molecular weight of Ethyl 2-bromo-3-hydroxypropanoate is 195.97 g/mol.
Where can I buy Ethyl 2-bromo-3-hydroxypropanoate?
You can request a quote for Ethyl 2-bromo-3-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromo-3-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromo-3-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.