Munjistin methylester
TL;DR: Munjistin methylester (CAS 79820-23-8) is a chemical compound with molecular formula C16H10O6 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
Also Known As: Munjistin methylester, Munjistin methyl ester, 2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester, 1,3-Dihydroxy-2-(methoxycarbonyl)anthraquinone, methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
| Molecular Formula | C16H10O6 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.04773 |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 79820-23-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| InChIKey | ZNLXJSQBKSHMCK-UHFFFAOYSA-N |
Product Overview
Munjistin methylester (CAS 79820-23-8), with molecular formula C16H10O6 and molecular weight 298.05 g/mol. IUPAC: methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of Munjistin methylester
Property Insights of Munjistin methylester
The XLogP value of 3.1 indicates that Munjistin methylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Munjistin methylester. Following Lipinski's Rule of Five, Munjistin methylester 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 Munjistin methylester?
The CAS number of Munjistin methylester is 79820-23-8.
What is the molecular formula of Munjistin methylester?
The molecular formula of Munjistin methylester is C16H10O6.
What is the molecular weight of Munjistin methylester?
The molecular weight of Munjistin methylester is 298.05 g/mol.
Where can I buy Munjistin methylester?
You can request a quote for Munjistin methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Munjistin methylester?
Yes, KEHONG BIO provides custom synthesis services for Munjistin methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.