Isodiospyrin
TL;DR: Isodiospyrin (CAS 20175-84-2) is a chemical compound with molecular formula C22H14O6 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione
Also Known As: ISODIOSPYRIN, Isoldiospyrin, rac-Isodiospyrin, Isodiospirin, NCI60_001744
| Molecular Formula | C22H14O6 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.07904 |
| Heavy Atoms | 28 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 20175-84-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O |
| InChIKey | OEEOHKZVBKYMBA-UHFFFAOYSA-N |
Product Overview
Isodiospyrin (CAS 20175-84-2), with molecular formula C22H14O6 and molecular weight 374.08 g/mol. IUPAC: 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxonaphthalen-1-yl)-7-methylnaphthalene-1,4-dione.
Chemical Property Profile of Isodiospyrin
Property Insights of Isodiospyrin
The XLogP value of 3.7 indicates that Isodiospyrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodiospyrin. Following Lipinski's Rule of Five, Isodiospyrin has 2 hydrogen bond donor(s) and 6 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 Isodiospyrin?
The CAS number of Isodiospyrin is 20175-84-2.
What is the molecular formula of Isodiospyrin?
The molecular formula of Isodiospyrin is C22H14O6.
What is the molecular weight of Isodiospyrin?
The molecular weight of Isodiospyrin is 374.08 g/mol.
Where can I buy Isodiospyrin?
You can request a quote for Isodiospyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodiospyrin?
Yes, KEHONG BIO provides custom synthesis services for Isodiospyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.