Fumigatin
TL;DR: Fumigatin (CAS 484-89-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: Fumigatin, 3-demethylubiquinone 0, FUMIGATIN [MI], 6-hydroxy-5-methoxy-p-toluquinone, 3-hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 484-89-9 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(C1=O)O)OC |
| InChIKey | GSNBWTFAGXSQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fumigatin (CAS 484-89-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 3-hydroxy-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Fumigatin
Property Insights of Fumigatin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumigatin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumigatin. Following Lipinski's Rule of Five, Fumigatin has 1 hydrogen bond donor(s) and 4 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 Fumigatin?
The CAS number of Fumigatin is 484-89-9.
What is the molecular formula of Fumigatin?
The molecular formula of Fumigatin is C8H8O4.
What is the molecular weight of Fumigatin?
The molecular weight of Fumigatin is 168.04 g/mol.
Where can I buy Fumigatin?
You can request a quote for Fumigatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumigatin?
Yes, KEHONG BIO provides custom synthesis services for Fumigatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.