Misakimycin
TL;DR: Misakimycin (CAS 91776-49-7) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2,7-dimethoxy-6-methylnaphthalene-1,4-dione
Also Known As: Misakimycin, 5-hydroxy-2,7-dimethoxy-6-methylnaphthalene-1,4-dione, 5-Hydroxy-2,7-dimethoxy-6-methyl-1,4-naphthoquinone, 1,4-Naphthalenedione, 5-hydroxy-2,7-dimethoxy-6-methyl-, 2,7-Dimethoxy-5-hydroxy-6-methyl-1,4-naphthoquinone
| Molecular Formula | C13H12O5 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06847 |
| Heavy Atoms | 18 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 91776-49-7 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)OC |
| InChIKey | GWPDLTIZFFIWSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Misakimycin (CAS 91776-49-7), with molecular formula C13H12O5 and molecular weight 248.07 g/mol. IUPAC: 5-hydroxy-2,7-dimethoxy-6-methylnaphthalene-1,4-dione.
Chemical Property Profile of Misakimycin
Property Insights of Misakimycin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Misakimycin. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Misakimycin. Following Lipinski's Rule of Five, Misakimycin has 1 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 Misakimycin?
The CAS number of Misakimycin is 91776-49-7.
What is the molecular formula of Misakimycin?
The molecular formula of Misakimycin is C13H12O5.
What is the molecular weight of Misakimycin?
The molecular weight of Misakimycin is 248.07 g/mol.
Where can I buy Misakimycin?
You can request a quote for Misakimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Misakimycin?
Yes, KEHONG BIO provides custom synthesis services for Misakimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.