Heptabromodibenzofuran
TL;DR: Heptabromodibenzofuran (CAS 62994-32-5) is a chemical compound with molecular formula C12HBr7O and molecular weight 713.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,8-heptabromodibenzofuran
Also Known As: Heptabromodibenzofuran, 1,2,3,4,6,7,8-Heptabromodibenzofuran, C12HBr7O, 1,2,3,4,6,7,8-HpBDF, 1,2,3,4,6,7,8-heptabromo-dibenzofuran
| Molecular Formula | C12HBr7O |
|---|---|
| Molecular Weight | 713.43 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 713.4311 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 62994-32-5 |
|---|---|
| SMILES | C1=C2C3=C(C(=C(C(=C3Br)Br)Br)Br)OC2=C(C(=C1Br)Br)Br |
| InChIKey | JISOUFWSRUCDMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptabromodibenzofuran (CAS 62994-32-5), with molecular formula C12HBr7O and molecular weight 713.43 g/mol. IUPAC: 1,2,3,4,6,7,8-heptabromodibenzofuran.
Chemical Property Profile of Heptabromodibenzofuran
Property Insights of Heptabromodibenzofuran
The XLogP value of 8.5 indicates that Heptabromodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, Heptabromodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptabromodibenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptabromodibenzofuran?
The CAS number of Heptabromodibenzofuran is 62994-32-5.
What is the molecular formula of Heptabromodibenzofuran?
The molecular formula of Heptabromodibenzofuran is C12HBr7O.
What is the molecular weight of Heptabromodibenzofuran?
The molecular weight of Heptabromodibenzofuran is 713.43 g/mol.
Where can I buy Heptabromodibenzofuran?
You can request a quote for Heptabromodibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptabromodibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for Heptabromodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.