2,4,6-三溴苯酚1,1'-碳酸酯
TL;DR: 2,4,6-三溴苯酚1,1'-碳酸酯 (CAS 67990-32-3) is a chemical compound with molecular formula C13H4Br6O3 and molecular weight 681.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三溴苯酚1,1'-碳酸酯
bis(2,4,6-tribromophenyl) carbonate
Also Known As: Bis(2,4,6-tribromophenyl) carbonate, bis carbonate, M-Nifedipine, Phenol, 2,4,6-tribromo-, 1,1'-carbonate, Phenol, 2,4,6-tribromo-, carbonate (2:1)
| Molecular Formula | C13H4Br6O3 |
|---|---|
| Molecular Weight | 681.53 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 687.5199 |
| Heavy Atoms | 22 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 67990-32-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)OC(=O)OC2=C(C=C(C=C2Br)Br)Br)Br)Br |
| InChIKey | KYCZCJACRVPWFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-三溴苯酚1,1'-碳酸酯 (CAS 67990-32-3), with molecular formula C13H4Br6O3 and molecular weight 681.53 g/mol. IUPAC: bis(2,4,6-tribromophenyl) carbonate.
Chemical Property Profile of 2,4,6-三溴苯酚1,1'-碳酸酯
Property Insights of 2,4,6-三溴苯酚1,1'-碳酸酯
The XLogP value of 7.8 indicates that 2,4,6-三溴苯酚1,1'-碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4,6-三溴苯酚1,1'-碳酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-三溴苯酚1,1'-碳酸酯 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 2,4,6-三溴苯酚1,1'-碳酸酯?
The CAS number of 2,4,6-三溴苯酚1,1'-碳酸酯 is 67990-32-3.
What is the molecular formula of 2,4,6-三溴苯酚1,1'-碳酸酯?
The molecular formula of 2,4,6-三溴苯酚1,1'-碳酸酯 is C13H4Br6O3.
What is the molecular weight of 2,4,6-三溴苯酚1,1'-碳酸酯?
The molecular weight of 2,4,6-三溴苯酚1,1'-碳酸酯 is 681.53 g/mol.
Where can I buy 2,4,6-三溴苯酚1,1'-碳酸酯?
You can request a quote for 2,4,6-三溴苯酚1,1'-碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三溴苯酚1,1'-碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三溴苯酚1,1'-碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.