Digitopurpone
TL;DR: Digitopurpone (CAS 34425-57-5) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,8-trihydroxy-2-methylanthracene-9,10-dione
Also Known As: Digitopurpone, 1,4,8-Trihydroxy-2-methyl-9,10-anthracenedione, 1,4,8-trihydroxy-2-methylanthracene-9,10-dione, 1,4,5-trihydroxy-3-methylanthraquinone, 1,4,8-Trihydroxy-2-methylanthraquinone
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 34425-57-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=CC=C3O)O |
| InChIKey | PCXFOXVKFKRJSN-UHFFFAOYSA-N |
Product Overview
Digitopurpone (CAS 34425-57-5), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 1,4,8-trihydroxy-2-methylanthracene-9,10-dione.
Chemical Property Profile of Digitopurpone
Property Insights of Digitopurpone
The XLogP value of 3.3 indicates that Digitopurpone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Digitopurpone. Following Lipinski's Rule of Five, Digitopurpone 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 Digitopurpone?
The CAS number of Digitopurpone is 34425-57-5.
What is the molecular formula of Digitopurpone?
The molecular formula of Digitopurpone is C15H10O5.
What is the molecular weight of Digitopurpone?
The molecular weight of Digitopurpone is 270.05 g/mol.
Where can I buy Digitopurpone?
You can request a quote for Digitopurpone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitopurpone?
Yes, KEHONG BIO provides custom synthesis services for Digitopurpone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.