Gillusdin
TL;DR: Gillusdin (CAS 94663-91-9) is a chemical compound with molecular formula C17H12Cl2O8 and molecular weight 413.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,7-dichloro-4',6-dihydroxy-5'-methoxy-4-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
Also Known As: Gillusdin, 5,7-Dichloro-5',6'-dihydroxy-6'-methoxy-4-methyl-3,4-dioxospiro(benzofuran-2(3H)-1'-(2,5)-cyclohexadiene)-2-carboxylic acid methyl ester, methyl 5,7-dichloro-4',6-dihydroxy-5'-methoxy-4-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate, Spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid, 5,7-dichloro-5',6-dihydroxy-6'-methoxy-4-methyl-3,4'-dioxo-, methyl ester, 5,7-Dichloro-5 ,6-dihydroxy-6 -methoxy-4-methyl-3,4 -dioxospiro[benzofuran-2(3H),1 -[2,5]cyclohexadiene]-2 -carboxylic acid methyl ester
| Molecular Formula | C17H12Cl2O8 |
|---|---|
| Molecular Weight | 413.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.99094 |
| Heavy Atoms | 27 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 94663-91-9 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1Cl)O)Cl)OC3(C2=O)C(=CC(=O)C(=C3OC)O)C(=O)OC |
| InChIKey | GKDPVOBYIGAJSD-UHFFFAOYSA-N |
Product Overview
Gillusdin (CAS 94663-91-9), with molecular formula C17H12Cl2O8 and molecular weight 413.99 g/mol. IUPAC: methyl 5,7-dichloro-4',6-dihydroxy-5'-methoxy-4-methyl-3,3'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate.
Chemical Property Profile of Gillusdin
Property Insights of Gillusdin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gillusdin. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gillusdin. Following Lipinski's Rule of Five, Gillusdin has 2 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 Gillusdin?
The CAS number of Gillusdin is 94663-91-9.
What is the molecular formula of Gillusdin?
The molecular formula of Gillusdin is C17H12Cl2O8.
What is the molecular weight of Gillusdin?
The molecular weight of Gillusdin is 413.99 g/mol.
Where can I buy Gillusdin?
You can request a quote for Gillusdin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gillusdin?
Yes, KEHONG BIO provides custom synthesis services for Gillusdin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.