蒽棓酚
TL;DR: 蒽棓酚 (CAS 602-64-2) is a chemical compound with molecular formula C14H8O5 and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蒽棓酚
1,2,3-trihydroxyanthracene-9,10-dione
Also Known As: Anthragallol, Anthracene brown, Anthragallic acid, Antragallol, Alizarine Brown R
| Molecular Formula | C14H8O5 |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.03717 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 602-64-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O |
| InChIKey | AHKDJQYHVWSRLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蒽棓酚 (CAS 602-64-2), with molecular formula C14H8O5 and molecular weight 256.04 g/mol. IUPAC: 1,2,3-trihydroxyanthracene-9,10-dione.
Chemical Property Profile of 蒽棓酚
Property Insights of 蒽棓酚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蒽棓酚. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 蒽棓酚. Following Lipinski's Rule of Five, 蒽棓酚 has 3 hydrogen bond donor(s) and 5 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 蒽棓酚?
The CAS number of 蒽棓酚 is 602-64-2.
What is the molecular formula of 蒽棓酚?
The molecular formula of 蒽棓酚 is C14H8O5.
What is the molecular weight of 蒽棓酚?
The molecular weight of 蒽棓酚 is 256.04 g/mol.
Where can I buy 蒽棓酚?
You can request a quote for 蒽棓酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蒽棓酚?
Yes, KEHONG BIO provides custom synthesis services for 蒽棓酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.