Mitorubrinic acid
TL;DR: Mitorubrinic acid (CAS 58958-07-9) is a chemical compound with molecular formula C21H16O9 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Mitorubrinic acid
(E)-3-[(7R)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
Also Known As: Mitorubrinic acid, (-)-Mitorubrinic acid, Mitorubrinic acid, (R)-, Mitorubrinic acid, (-)-, (R)-mitorubrinic acid
| Molecular Formula | C21H16O9 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 1.83872 |
| Topological Polar Surface Area | 147.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.07944 |
| Heavy Atoms | 30 |
| Complexity | 1094.2814 |
Chemical Identifiers
| CAS Number | 58958-07-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/C(=O)O)C)O)O |
Product Overview
Mitorubrinic acid (CAS 58958-07-9), with molecular formula C21H16O9 and molecular weight 412.08 g/mol. IUPAC: (E)-3-[(7R)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid.
Chemical Property Profile of Mitorubrinic acid
Property Insights of Mitorubrinic acid
The XLogP value of 1.83872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mitorubrinic acid. The TPSA of 147.43 Ų indicates high polarity, suggesting Mitorubrinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mitorubrinic acid has 3 hydrogen bond donor(s) and 8 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 Mitorubrinic acid?
The CAS number of Mitorubrinic acid is 58958-07-9.
What is the molecular formula of Mitorubrinic acid?
The molecular formula of Mitorubrinic acid is C21H16O9.
What is the molecular weight of Mitorubrinic acid?
The molecular weight of Mitorubrinic acid is 412.08 g/mol.
Where can I buy Mitorubrinic acid?
You can request a quote for Mitorubrinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitorubrinic acid?
Yes, KEHONG BIO provides custom synthesis services for Mitorubrinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.