2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)
TL;DR: 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) (CAS 93313-85-0) is a chemical compound with molecular formula C16H12Br2O4 and molecular weight 425.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethyl)-6-[2-[5-(bromomethyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,2'-Ebbmb, 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone), 2,2'-ethylenebis[6-(bromomethyl)-p-benzoquinone], 2,2'-ethane-1,2-diylbis[6-(bromomethyl)cyclohexa-2,5-diene-1,4-dione], 2,2'-(Ethane-1,2-diyl)bis[6-(bromomethyl)cyclohexa-2,5-diene-1,4-dione]
| Molecular Formula | C16H12Br2O4 |
|---|---|
| Molecular Weight | 425.91 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.91022 |
| Heavy Atoms | 22 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 93313-85-0 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1=O)CBr)CCC2=CC(=O)C=C(C2=O)CBr |
| InChIKey | FKLTWNNPUGYMDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) (CAS 93313-85-0), with molecular formula C16H12Br2O4 and molecular weight 425.91 g/mol. IUPAC: 2-(bromomethyl)-6-[2-[5-(bromomethyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)
Property Insights of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone). The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone). Following Lipinski's Rule of Five, 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) has 0 hydrogen bond donor(s) and 4 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 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)?
The CAS number of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) is 93313-85-0.
What is the molecular formula of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)?
The molecular formula of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) is C16H12Br2O4.
What is the molecular weight of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)?
The molecular weight of 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) is 425.91 g/mol.
Where can I buy 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)?
You can request a quote for 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Ethylenebis(6-(bromomethyl)-4-benzoquinone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.