2-(Bromomethyl)acrylic acid ethyl ester
TL;DR: 2-(Bromomethyl)acrylic acid ethyl ester (CAS 21031-50-5) is a chemical compound with molecular formula C6H9BrO2 and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(bromomethyl)prop-2-enoate
Also Known As: Ethyl 2-(bromomethyl)acrylate, ethyl 2-(bromomethyl)prop-2-enoate, null, Benzyl ethyl malonate, 2-(Bromomethyl)acrylic Acid Ethyl Ester
| Molecular Formula | C6H9BrO2 |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.97859 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 21031-50-5 |
|---|---|
| SMILES | CCOC(=O)C(=C)CBr |
| InChIKey | MTCMFVTVXAOHNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bromomethyl)acrylic acid ethyl ester (CAS 21031-50-5), with molecular formula C6H9BrO2 and molecular weight 191.98 g/mol. IUPAC: ethyl 2-(bromomethyl)prop-2-enoate.
Chemical Property Profile of 2-(Bromomethyl)acrylic acid ethyl ester
Property Insights of 2-(Bromomethyl)acrylic acid ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)acrylic acid ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Bromomethyl)acrylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)acrylic acid ethyl ester 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 2-(Bromomethyl)acrylic acid ethyl ester?
The CAS number of 2-(Bromomethyl)acrylic acid ethyl ester is 21031-50-5.
What is the molecular formula of 2-(Bromomethyl)acrylic acid ethyl ester?
The molecular formula of 2-(Bromomethyl)acrylic acid ethyl ester is C6H9BrO2.
What is the molecular weight of 2-(Bromomethyl)acrylic acid ethyl ester?
The molecular weight of 2-(Bromomethyl)acrylic acid ethyl ester is 191.98 g/mol.
Where can I buy 2-(Bromomethyl)acrylic acid ethyl ester?
You can request a quote for 2-(Bromomethyl)acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.