6-Deoxyilludin S
TL;DR: 6-Deoxyilludin S (CAS 112953-13-6) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R)-5-hydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one
Also Known As: 6-Deoxyilludin S, Deoxyilludin S, (2S,5R)-5-hydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one, 2',3'-Dihydro-6'-hydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one (2'S-cis)-, (2 S,6 R)-2 ,3 -Dihydro-6 -hydroxy-2 -(hydroxymethyl)-2 ,4 ,6 -trimethylspiro[cyclopropane-1,5 -[5H]inden]-7 (6 H)-one
Technical Specifications
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.14125 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.14125 Da |
| Heavy Atoms | 18 |
| Complexity | 510.0 |
| SMILES | CC1=C2C[C@](C=C2C(=O)[C@](C13CC3)(C)O)(C)CO |
| InChIKey | IEHHZEZPEUURRA-KBPBESRZSA-N |
Chemical Property Profile of 6-Deoxyilludin S
Property Insights of 6-Deoxyilludin S
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Deoxyilludin S. With a topological polar surface area (TPSA) of 57.5 Ų, 6-Deoxyilludin S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Deoxyilludin S has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Deoxyilludin S?
The CAS number of 6-Deoxyilludin S is 112953-13-6.
What is the molecular formula of 6-Deoxyilludin S?
The molecular formula of 6-Deoxyilludin S is C15H20O3.
What is the molecular weight of 6-Deoxyilludin S?
The molecular weight of 6-Deoxyilludin S is 248.14125 g/mol.
Where can I buy 6-Deoxyilludin S?
You can request a quote for 6-Deoxyilludin S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Deoxyilludin S?
Yes, CoreyChem provides custom synthesis services for 6-Deoxyilludin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.