Tribromodichlorodibenzo(b,e)(1,4)dioxin
TL;DR: Tribromodichlorodibenzo(b,e)(1,4)dioxin (CAS 109031-96-1) is a chemical compound with molecular formula C12H12Br3Cl2O2-5 and molecular weight 494.78 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;tribromide;dichloride
Also Known As: Tribromodichlorodibenzo(b,e)(1,4)dioxin, Dibenzo(b,e)(1,4)dioxin, tribromodichloro-, 4a,5a,9a,10a-tetrahydrodibenzo-p-dioxin tribromide dichloride
| Molecular Formula | C12H12Br3Cl2O2-5 |
|---|---|
| Molecular Weight | 494.78 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 | 494.77646 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 109031-96-1 |
|---|---|
| SMILES | C1=CC2C(C=C1)OC3C=CC=CC3O2.[Cl-].[Cl-].[Br-].[Br-].[Br-] |
| InChIKey | WHUIFMSJCMKZPG-UHFFFAOYSA-I |
Product Overview
Tribromodichlorodibenzo(b,e)(1,4)dioxin (CAS 109031-96-1), with molecular formula C12H12Br3Cl2O2-5 and molecular weight 494.78 g/mol. IUPAC: 4a,5a,9a,10a-tetrahydrodibenzo-p-dioxin;tribromide;dichloride.
Chemical Property Profile of Tribromodichlorodibenzo(b,e)(1,4)dioxin
Property Insights of Tribromodichlorodibenzo(b,e)(1,4)dioxin
The XLogP value of -13.2204 indicates that Tribromodichlorodibenzo(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, Tribromodichlorodibenzo(b,e)(1,4)dioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tribromodichlorodibenzo(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 Tribromodichlorodibenzo(b,e)(1,4)dioxin?
The CAS number of Tribromodichlorodibenzo(b,e)(1,4)dioxin is 109031-96-1.
What is the molecular formula of Tribromodichlorodibenzo(b,e)(1,4)dioxin?
The molecular formula of Tribromodichlorodibenzo(b,e)(1,4)dioxin is C12H12Br3Cl2O2-5.
What is the molecular weight of Tribromodichlorodibenzo(b,e)(1,4)dioxin?
The molecular weight of Tribromodichlorodibenzo(b,e)(1,4)dioxin is 494.78 g/mol.
Where can I buy Tribromodichlorodibenzo(b,e)(1,4)dioxin?
You can request a quote for Tribromodichlorodibenzo(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 Tribromodichlorodibenzo(b,e)(1,4)dioxin?
Yes, KEHONG BIO provides custom synthesis services for Tribromodichlorodibenzo(b,e)(1,4)dioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.