Dibromotrichlorodibenzo(b,e)(1,4)dioxin
TL;DR: Dibromotrichlorodibenzo(b,e)(1,4)dioxin (CAS 109031-99-4) is a chemical compound with molecular formula C12H12Br2Cl3O2-5 and molecular weight 450.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,5a,9a,10a-tetrahydrodibenzo-p-dioxin;dibromide;trichloride
Also Known As: Dibromotrichlorodibenzo(b,e)(1,4)dioxin, Dibenzo(b,e)(1,4)dioxin, dibromotrichloro-, 4a,5a,9a,10a-tetrahydrodibenzo-p-dioxin dibromide trichloride
| Molecular Formula | C12H12Br2Cl3O2-5 |
|---|---|
| Molecular Weight | 450.83 g/mol |
| LogP | -13.2204 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 450.82697 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 109031-99-4 |
|---|---|
| SMILES | C1=CC2C(C=C1)OC3C=CC=CC3O2.[Cl-].[Cl-].[Cl-].[Br-].[Br-] |
| InChIKey | OVHXFFOHTLTODM-UHFFFAOYSA-I |
Product Overview
Dibromotrichlorodibenzo(b,e)(1,4)dioxin (CAS 109031-99-4), with molecular formula C12H12Br2Cl3O2-5 and molecular weight 450.83 g/mol. IUPAC: 4a,5a,9a,10a-tetrahydrodibenzo-p-dioxin;dibromide;trichloride.
Chemical Property Profile of Dibromotrichlorodibenzo(b,e)(1,4)dioxin
Property Insights of Dibromotrichlorodibenzo(b,e)(1,4)dioxin
The XLogP value of -13.2204 indicates that Dibromotrichlorodibenzo(b,e)(1,4)dioxin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, Dibromotrichlorodibenzo(b,e)(1,4)dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromotrichlorodibenzo(b,e)(1,4)dioxin has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibromotrichlorodibenzo(b,e)(1,4)dioxin?
The CAS number of Dibromotrichlorodibenzo(b,e)(1,4)dioxin is 109031-99-4.
What is the molecular formula of Dibromotrichlorodibenzo(b,e)(1,4)dioxin?
The molecular formula of Dibromotrichlorodibenzo(b,e)(1,4)dioxin is C12H12Br2Cl3O2-5.
What is the molecular weight of Dibromotrichlorodibenzo(b,e)(1,4)dioxin?
The molecular weight of Dibromotrichlorodibenzo(b,e)(1,4)dioxin is 450.83 g/mol.
Where can I buy Dibromotrichlorodibenzo(b,e)(1,4)dioxin?
You can request a quote for Dibromotrichlorodibenzo(b,e)(1,4)dioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromotrichlorodibenzo(b,e)(1,4)dioxin?
Yes, KEHONG BIO provides custom synthesis services for Dibromotrichlorodibenzo(b,e)(1,4)dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.