Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
TL;DR: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate (CAS 33798-02-6) is a chemical compound with molecular formula C19H16Br4O4 and molecular weight 623.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(4-acetyloxy-3,5-dibromophenyl)propan-2-yl]-2,6-dibromophenyl] acetate
Also Known As: 4,4'-Isopropylidenebis(2,6-dibromophenyl) diacetate, 4,4'-Isopropylidenebis[2,6-dibromophenyl] diacetate, 2,2-Propanediylbis-2,6-dibromo-4,1-phenylene diacetate, Phenol, 4,4'-(1-methylethylidene)bis(2,6-dibromo-, diacetate, [4-[2-(4-acetyloxy-3,5-dibromophenyl)propan-2-yl]-2,6-dibromophenyl] acetate
| Molecular Formula | C19H16Br4O4 |
|---|---|
| Molecular Weight | 623.78 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 627.7741 |
| Heavy Atoms | 27 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 33798-02-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)OC(=O)C)Br)Br |
| InChIKey | ZUBOJXBQSZDOID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate (CAS 33798-02-6), with molecular formula C19H16Br4O4 and molecular weight 623.78 g/mol. IUPAC: [4-[2-(4-acetyloxy-3,5-dibromophenyl)propan-2-yl]-2,6-dibromophenyl] acetate.
Chemical Property Profile of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
Property Insights of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
The XLogP value of 7.0 indicates that Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-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, Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-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 Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate?
The CAS number of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate is 33798-02-6.
What is the molecular formula of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate?
The molecular formula of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate is C19H16Br4O4.
What is the molecular weight of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate?
The molecular weight of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate is 623.78 g/mol.
Where can I buy Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate?
You can request a quote for Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.