Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate
TL;DR: Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate (CAS 33374-34-4) is a chemical compound with molecular formula C13Br10O3 and molecular weight 993.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,3,4,5,6-pentabromophenyl) carbonate
Also Known As: Bis(pentabromophenyl) carbonate, Decabromodiphenyl carbonate, C13Br10O3, Phenol, pentabromo-, carbonate (2:1), bis-(Pentabromophenyl) carbonate
| Molecular Formula | C13Br10O3 |
|---|---|
| Molecular Weight | 993.17 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 1003.1579 |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 33374-34-4 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br |
| InChIKey | GLMRCTIBJCEHLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate (CAS 33374-34-4), with molecular formula C13Br10O3 and molecular weight 993.17 g/mol. IUPAC: bis(2,3,4,5,6-pentabromophenyl) carbonate.
Chemical Property Profile of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate
Property Insights of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate
The XLogP value of 10.5 indicates that Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate 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 Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate?
The CAS number of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate is 33374-34-4.
What is the molecular formula of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate?
The molecular formula of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate is C13Br10O3.
What is the molecular weight of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate?
The molecular weight of Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate is 993.17 g/mol.
Where can I buy Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate?
You can request a quote for Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,3,4,5,6-pentabromo-, 1,1'-carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.