2,4,6-Tribromophenyl 2-ethylhexanoate
TL;DR: 2,4,6-Tribromophenyl 2-ethylhexanoate (CAS 84852-57-3) is a chemical compound with molecular formula C14H17Br3O2 and molecular weight 453.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-tribromophenyl) 2-ethylhexanoate
Also Known As: 2,4,6-Tribromophenyl 2-ethylhexanoate, EINECS 284-371-6, (2,4,6-tribromophenyl) 2-ethylhexanoate, 2-Ethylhexanoic acid 2,4,6-tribromophenyl ester, Hexanoic acid,2-ethyl-, 2,4,6-tribromophenyl ester
| Molecular Formula | C14H17Br3O2 |
|---|---|
| Molecular Weight | 453.88 g/mol |
| LogP | 6.0959 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.87787 |
| Heavy Atoms | 19 |
| Complexity | 423.31238 |
Chemical Identifiers
| CAS Number | 84852-57-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=C(C=C(C=C1Br)Br)Br |
Product Overview
2,4,6-Tribromophenyl 2-ethylhexanoate (CAS 84852-57-3), with molecular formula C14H17Br3O2 and molecular weight 453.88 g/mol. IUPAC: (2,4,6-tribromophenyl) 2-ethylhexanoate.
Chemical Property Profile of 2,4,6-Tribromophenyl 2-ethylhexanoate
Property Insights of 2,4,6-Tribromophenyl 2-ethylhexanoate
The XLogP value of 6.0959 indicates that 2,4,6-Tribromophenyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4,6-Tribromophenyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromophenyl 2-ethylhexanoate 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 2,4,6-Tribromophenyl 2-ethylhexanoate?
The CAS number of 2,4,6-Tribromophenyl 2-ethylhexanoate is 84852-57-3.
What is the molecular formula of 2,4,6-Tribromophenyl 2-ethylhexanoate?
The molecular formula of 2,4,6-Tribromophenyl 2-ethylhexanoate is C14H17Br3O2.
What is the molecular weight of 2,4,6-Tribromophenyl 2-ethylhexanoate?
The molecular weight of 2,4,6-Tribromophenyl 2-ethylhexanoate is 453.88 g/mol.
Where can I buy 2,4,6-Tribromophenyl 2-ethylhexanoate?
You can request a quote for 2,4,6-Tribromophenyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tribromophenyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromophenyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.