Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester
TL;DR: Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester (CAS 71216-04-1) is a chemical compound with molecular formula C13H2Br8O3 and molecular weight 837.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabromophenyl) (2,4,6-tribromophenyl) carbonate
Also Known As: 2,4,6-Tribromophenyl pentabromophenyl carbonate, pentabromophenyl 2,4,6-tribromophenyl carbonate, Carbonic acid, pentabromophenyl 2,4,6-tribromophenyl ester, Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl carbonate
| Molecular Formula | C13H2Br8O3 |
|---|---|
| Molecular Weight | 837.35 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 845.3389 |
| Heavy Atoms | 24 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 71216-04-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br |
| InChIKey | UIDCTFWJUOHXHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester (CAS 71216-04-1), with molecular formula C13H2Br8O3 and molecular weight 837.35 g/mol. IUPAC: (2,3,4,5,6-pentabromophenyl) (2,4,6-tribromophenyl) carbonate.
Chemical Property Profile of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester
Property Insights of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester
The XLogP value of 9.2 indicates that Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester?
The CAS number of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester is 71216-04-1.
What is the molecular formula of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester?
The molecular formula of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester is C13H2Br8O3.
What is the molecular weight of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester?
The molecular weight of Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester is 837.35 g/mol.
Where can I buy Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester?
You can request a quote for Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2,3,4,5,6-pentabromophenyl 2,4,6-tribromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.