2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester
TL;DR: 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester (CAS 59447-55-1) is a chemical compound with molecular formula C10H5Br5O2 and molecular weight 551.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate
Also Known As: Pentabromobenzyl acrylate, (Pentabromophenyl)methyl acrylate, (Perbromophenyl)methyl acrylate, (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate, POLY(PENTABROMOBENZYL ACRYLATE)
| Molecular Formula | C10H5Br5O2 |
|---|---|
| Molecular Weight | 551.62 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.6165 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 59447-55-1 |
|---|---|
| SMILES | C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | GRKDVZMVHOLESV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester (CAS 59447-55-1), with molecular formula C10H5Br5O2 and molecular weight 551.62 g/mol. IUPAC: (2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester
Property Insights of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester
The XLogP value of 5.7 indicates that 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester?
The CAS number of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester is 59447-55-1.
What is the molecular formula of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester?
The molecular formula of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester is C10H5Br5O2.
What is the molecular weight of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester?
The molecular weight of 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester is 551.62 g/mol.
Where can I buy 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester?
You can request a quote for 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, (2,3,4,5,6-pentabromophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.