Mitorubrin
TL;DR: Mitorubrin (CAS 3403-71-2) is a chemical compound with molecular formula C21H18O7 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Also Known As: Mitorubrin, (-)-mitorubrin, (?)-mitorubrin, 1,1'-butane-1,1-diyldicyclohexane, Benzoic acid, 2,4-dihydroxy-6-methyl-, 7,8-dihydro-7-methyl-6,8-dioxo-3-(1-propenyl)-6H-2-benzopyran-7-yl ester, (R-(E))-
| Molecular Formula | C21H18O7 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 2.77402 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.10526 |
| Heavy Atoms | 28 |
| Complexity | 1000.1849 |
Chemical Identifiers
| CAS Number | 3403-71-2 |
|---|---|
| SMILES | C/C=C/C1=CC2=CC(=O)[C@@](C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3C)O)O |
Product Overview
Mitorubrin (CAS 3403-71-2), with molecular formula C21H18O7 and molecular weight 382.11 g/mol. IUPAC: [(7R)-7-methyl-6,8-dioxo-3-[(E)-prop-1-enyl]isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Mitorubrin
Property Insights of Mitorubrin
The XLogP value of 2.77402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mitorubrin. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Mitorubrin. Following Lipinski's Rule of Five, Mitorubrin has 2 hydrogen bond donor(s) and 7 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 Mitorubrin?
The CAS number of Mitorubrin is 3403-71-2.
What is the molecular formula of Mitorubrin?
The molecular formula of Mitorubrin is C21H18O7.
What is the molecular weight of Mitorubrin?
The molecular weight of Mitorubrin is 382.11 g/mol.
Where can I buy Mitorubrin?
You can request a quote for Mitorubrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitorubrin?
Yes, KEHONG BIO provides custom synthesis services for Mitorubrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.