2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate
TL;DR: 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate (CAS 5884-67-3) is a chemical compound with molecular formula C12H10Br4O4 and molecular weight 533.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(acetyloxymethyl)-2,3,5,6-tetrabromophenyl]methyl acetate
Also Known As: Armepavine, (+-)-Armepavine, (2,3,5,6-tetrabromobenzene-1,4-diyl)dimethanediyl diacetate, 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate, [4-(acetyloxymethyl)-2,3,5,6-tetrabromophenyl]methyl acetate
| Molecular Formula | C12H10Br4O4 |
|---|---|
| Molecular Weight | 533.73 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.7272 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5884-67-3 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=C(C(=C1Br)Br)COC(=O)C)Br)Br |
| InChIKey | FMEBTGCETGEFTE-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate (CAS 5884-67-3), with molecular formula C12H10Br4O4 and molecular weight 533.73 g/mol. IUPAC: [4-(acetyloxymethyl)-2,3,5,6-tetrabromophenyl]methyl acetate.
Chemical Property Profile of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate
Property Insights of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate
The XLogP value of 4.1 indicates that 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate?
The CAS number of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate is 5884-67-3.
What is the molecular formula of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate?
The molecular formula of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate is C12H10Br4O4.
What is the molecular weight of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate?
The molecular weight of 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate is 533.73 g/mol.
Where can I buy 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate?
You can request a quote for 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrabromo-p-xylene-alpha,alpha'-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.