Isoilludin S
TL;DR: Isoilludin S (CAS 3779-56-4) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydroxy-2-(hydroxymethyl)-2,4,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-5-one
Also Known As: Isoilludin S, Isolampterol, 3',7'-dihydroxy-2'-(hydroxymethyl)-2',4',7'-trimethyl-2',7'-dihydrospiro[cyclopropane-1,5'-inden]-6'(3'h)-one, 1,4-dihydroxy-2-(hydroxymethyl)-2,4,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-5-one, 2',7'-Dihydro-3'beta,7'alpha-dihydroxy-2'alpha-(hydroxymethyl)-2',4',7'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-6'(3H)-one
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 3779-56-4 |
|---|---|
| SMILES | CC1=C2C(C(C=C2C(C(=O)C13CC3)(C)O)(C)CO)O |
| InChIKey | ZWMQGXMHSMRYFW-UHFFFAOYSA-N |
Product Overview
Isoilludin S (CAS 3779-56-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 1,4-dihydroxy-2-(hydroxymethyl)-2,4,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-5-one.
Chemical Property Profile of Isoilludin S
Property Insights of Isoilludin S
The XLogP value of -0.4 indicates that Isoilludin S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoilludin S. Following Lipinski's Rule of Five, Isoilludin S has 3 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 Isoilludin S?
The CAS number of Isoilludin S is 3779-56-4.
What is the molecular formula of Isoilludin S?
The molecular formula of Isoilludin S is C15H20O4.
What is the molecular weight of Isoilludin S?
The molecular weight of Isoilludin S is 264.14 g/mol.
Where can I buy Isoilludin S?
You can request a quote for Isoilludin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoilludin S?
Yes, KEHONG BIO provides custom synthesis services for Isoilludin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.