Perbromophenyl 3-methyl-2-butenoate
TL;DR: Perbromophenyl 3-methyl-2-butenoate (CAS 84852-56-2) is a chemical compound with molecular formula C11H7Br5O2 and molecular weight 565.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabromophenyl) 3-methylbut-2-enoate
Also Known As: Perbromophenyl 3-methyl-2-butenoate, EINECS 284-370-0, perbromophenyl3-methyl-2-butenoate, Pentabromophenyl 3-methylbut-2-enoate, 3-Methyl-2-butenoic acid pentabromophenyl ester
| Molecular Formula | C11H7Br5O2 |
|---|---|
| Molecular Weight | 565.64 g/mol |
| LogP | 6.3707 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 565.6363 |
| Heavy Atoms | 18 |
| Complexity | 503.7205 |
Chemical Identifiers
| CAS Number | 84852-56-2 |
|---|---|
| SMILES | CC(=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C |
Product Overview
Perbromophenyl 3-methyl-2-butenoate (CAS 84852-56-2), with molecular formula C11H7Br5O2 and molecular weight 565.64 g/mol. IUPAC: (2,3,4,5,6-pentabromophenyl) 3-methylbut-2-enoate.
Chemical Property Profile of Perbromophenyl 3-methyl-2-butenoate
Property Insights of Perbromophenyl 3-methyl-2-butenoate
The XLogP value of 6.3707 indicates that Perbromophenyl 3-methyl-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Perbromophenyl 3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perbromophenyl 3-methyl-2-butenoate 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 Perbromophenyl 3-methyl-2-butenoate?
The CAS number of Perbromophenyl 3-methyl-2-butenoate is 84852-56-2.
What is the molecular formula of Perbromophenyl 3-methyl-2-butenoate?
The molecular formula of Perbromophenyl 3-methyl-2-butenoate is C11H7Br5O2.
What is the molecular weight of Perbromophenyl 3-methyl-2-butenoate?
The molecular weight of Perbromophenyl 3-methyl-2-butenoate is 565.64 g/mol.
Where can I buy Perbromophenyl 3-methyl-2-butenoate?
You can request a quote for Perbromophenyl 3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perbromophenyl 3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Perbromophenyl 3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.