3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene
TL;DR: 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene (CAS 1175-41-3) is a chemical compound with molecular formula C12HBr5Cl2O2 and molecular weight 641.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6,7,8-pentabromo-1,2-dichlorodibenzo-p-dioxin
Also Known As: 3,4,6,7,8-pentabromo-1,2-dichlorooxanthrene, 3,4,6,7,8-pentabromo-1,2-dichlorodibenzo-p-dioxin, Dibenzo[b,e][1,4]dioxin,pentabromodichloro- (9CI), 3,4,6,7,8-pentabromo-1,2-dichloro-oxanthrene
| Molecular Formula | C12HBr5Cl2O2 |
|---|---|
| Molecular Weight | 641.53 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 641.52704 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 1175-41-3 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1Br)Br)Br)OC3=C(O2)C(=C(C(=C3Br)Br)Cl)Cl |
| InChIKey | HBFONRQUYXDZEC-UHFFFAOYSA-N |
Product Overview
3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene (CAS 1175-41-3), with molecular formula C12HBr5Cl2O2 and molecular weight 641.53 g/mol. IUPAC: 3,4,6,7,8-pentabromo-1,2-dichlorodibenzo-p-dioxin.
Chemical Property Profile of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene
Property Insights of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene
The XLogP value of 7.8 indicates that 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene?
The CAS number of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene is 1175-41-3.
What is the molecular formula of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene?
The molecular formula of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene is C12HBr5Cl2O2.
What is the molecular weight of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene?
The molecular weight of 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene is 641.53 g/mol.
Where can I buy 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene?
You can request a quote for 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6,7,8-Pentabromo-1,2-dichlorooxanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.