1,2,3,4,6-Pentabromo-dibenzofuran
TL;DR: 1,2,3,4,6-Pentabromo-dibenzofuran (CAS 68795-14-2) is a chemical compound with molecular formula C12H3Br5O and molecular weight 557.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6-pentabromodibenzofuran
Also Known As: 1,2,3,4,6-pentabromo-dibenzofuran, PENTABROMODIBENZOFURAN, 1,2,3,4,6-pentabromodibenzofuran, 1,2,3,4,6-Pentabromodibenzo[b,d]furan, Dibenzofuran, 1,2,3,4,6-pentabromo-
| Molecular Formula | C12H3Br5O |
|---|---|
| Molecular Weight | 557.61 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 557.6101 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 68795-14-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)OC3=C2C(=C(C(=C3Br)Br)Br)Br |
| InChIKey | AGYXAGPQZZYAJQ-UHFFFAOYSA-N |
Product Overview
1,2,3,4,6-Pentabromo-dibenzofuran (CAS 68795-14-2), with molecular formula C12H3Br5O and molecular weight 557.61 g/mol. IUPAC: 1,2,3,4,6-pentabromodibenzofuran.
Chemical Property Profile of 1,2,3,4,6-Pentabromo-dibenzofuran
Property Insights of 1,2,3,4,6-Pentabromo-dibenzofuran
The XLogP value of 7.1 indicates that 1,2,3,4,6-Pentabromo-dibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 1,2,3,4,6-Pentabromo-dibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,6-Pentabromo-dibenzofuran 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 1,2,3,4,6-Pentabromo-dibenzofuran?
The CAS number of 1,2,3,4,6-Pentabromo-dibenzofuran is 68795-14-2.
What is the molecular formula of 1,2,3,4,6-Pentabromo-dibenzofuran?
The molecular formula of 1,2,3,4,6-Pentabromo-dibenzofuran is C12H3Br5O.
What is the molecular weight of 1,2,3,4,6-Pentabromo-dibenzofuran?
The molecular weight of 1,2,3,4,6-Pentabromo-dibenzofuran is 557.61 g/mol.
Where can I buy 1,2,3,4,6-Pentabromo-dibenzofuran?
You can request a quote for 1,2,3,4,6-Pentabromo-dibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,6-Pentabromo-dibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,6-Pentabromo-dibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.