Tetrahydroanthraquinone
TL;DR: Tetrahydroanthraquinone (CAS 5445-70-5) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrahydroanthracene-9,10-dione
Also Known As: tetrahydroanthraquinone, Anthraquinone, tetrahydro-, 1,2,3,4-tetrahydroanthracene-9,10-dione, 9,10-Anthracenedione, tetrahydro-, Anthraquinone, 1,2,3,4-tetrahydro-
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 5445-70-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | OTBHDFWQZHPNPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydroanthraquinone (CAS 5445-70-5), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: 1,2,3,4-tetrahydroanthracene-9,10-dione.
Chemical Property Profile of Tetrahydroanthraquinone
Property Insights of Tetrahydroanthraquinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydroanthraquinone. With a topological polar surface area (TPSA) of 34.1 Ų, Tetrahydroanthraquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydroanthraquinone 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 Tetrahydroanthraquinone?
The CAS number of Tetrahydroanthraquinone is 5445-70-5.
What is the molecular formula of Tetrahydroanthraquinone?
The molecular formula of Tetrahydroanthraquinone is C14H12O2.
What is the molecular weight of Tetrahydroanthraquinone?
The molecular weight of Tetrahydroanthraquinone is 212.08 g/mol.
Where can I buy Tetrahydroanthraquinone?
You can request a quote for Tetrahydroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.