1,2-Dibromo-3,4-dichlorooxanthrene
TL;DR: 1,2-Dibromo-3,4-dichlorooxanthrene (CAS 117591-51-2) is a chemical compound with molecular formula C12H4Br2Cl2O2 and molecular weight 407.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromo-3,4-dichlorodibenzo-p-dioxin
Also Known As: 1,2-dibromo-3,4-dichlorooxanthrene, KST-1B0004, 3,4-dibromo-1,2-dichloro-oxanthrene, Dibenzo[b,e][1,4]dioxin,dibromodichloro-, 1,2-dibromo-3,4-dichlorodibenzo-p-dioxin
| Molecular Formula | C12H4Br2Cl2O2 |
|---|---|
| Molecular Weight | 407.80 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 407.7955 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 117591-51-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Br)Br |
| InChIKey | MRADPPWENVPVSE-UHFFFAOYSA-N |
Product Overview
1,2-Dibromo-3,4-dichlorooxanthrene (CAS 117591-51-2), with molecular formula C12H4Br2Cl2O2 and molecular weight 407.80 g/mol. IUPAC: 1,2-dibromo-3,4-dichlorodibenzo-p-dioxin.
Chemical Property Profile of 1,2-Dibromo-3,4-dichlorooxanthrene
Property Insights of 1,2-Dibromo-3,4-dichlorooxanthrene
The XLogP value of 7.3 indicates that 1,2-Dibromo-3,4-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, 1,2-Dibromo-3,4-dichlorooxanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dibromo-3,4-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 1,2-Dibromo-3,4-dichlorooxanthrene?
The CAS number of 1,2-Dibromo-3,4-dichlorooxanthrene is 117591-51-2.
What is the molecular formula of 1,2-Dibromo-3,4-dichlorooxanthrene?
The molecular formula of 1,2-Dibromo-3,4-dichlorooxanthrene is C12H4Br2Cl2O2.
What is the molecular weight of 1,2-Dibromo-3,4-dichlorooxanthrene?
The molecular weight of 1,2-Dibromo-3,4-dichlorooxanthrene is 407.80 g/mol.
Where can I buy 1,2-Dibromo-3,4-dichlorooxanthrene?
You can request a quote for 1,2-Dibromo-3,4-dichlorooxanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dibromo-3,4-dichlorooxanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dibromo-3,4-dichlorooxanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.