Benz(A)anthracene-5,6-dione
TL;DR: Benz(A)anthracene-5,6-dione (CAS 18508-00-4) is a chemical compound with molecular formula C18H10O2 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracene-5,6-dione
Also Known As: benzo[a]anthracene-5,6-dione, DIAMINOMALEONITRILE, Benz[a]anthracene-5,6-dione, 2.3-Benzo-phenanthrenchinon, BENZ(A)ANTHRACENE-5,6-DIONE
| Molecular Formula | C18H10O2 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.06808 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 18508-00-4 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C(=O)C3=O |
| InChIKey | MDPPNAKFMQPTFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benz(A)anthracene-5,6-dione (CAS 18508-00-4), with molecular formula C18H10O2 and molecular weight 258.07 g/mol. IUPAC: benzo[a]anthracene-5,6-dione.
Chemical Property Profile of Benz(A)anthracene-5,6-dione
Property Insights of Benz(A)anthracene-5,6-dione
The XLogP value of 3.8 indicates that Benz(A)anthracene-5,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Benz(A)anthracene-5,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(A)anthracene-5,6-dione has 0 hydrogen bond donor(s) and 2 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 Benz(A)anthracene-5,6-dione?
The CAS number of Benz(A)anthracene-5,6-dione is 18508-00-4.
What is the molecular formula of Benz(A)anthracene-5,6-dione?
The molecular formula of Benz(A)anthracene-5,6-dione is C18H10O2.
What is the molecular weight of Benz(A)anthracene-5,6-dione?
The molecular weight of Benz(A)anthracene-5,6-dione is 258.07 g/mol.
Where can I buy Benz(A)anthracene-5,6-dione?
You can request a quote for Benz(A)anthracene-5,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(A)anthracene-5,6-dione?
Yes, KEHONG BIO provides custom synthesis services for Benz(A)anthracene-5,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.