Edultin
TL;DR: Edultin (CAS 15591-75-0) is a chemical compound with molecular formula C21H22O7 and molecular weight 386.13657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Also Known As: Edultin, Cnidimine, Coumarin CC2, J3.375.332B, [(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.13657 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.13657 Da |
| Heavy Atoms | 28 |
| Complexity | 720.0 |
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C |
| InChIKey | FFCDTHIJWHJUQJ-JZWAJAMXSA-N |
Chemical Property Profile of Edultin
Property Insights of Edultin
The XLogP value of 3.1 indicates that Edultin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Edultin. Following Lipinski's Rule of Five, Edultin has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Edultin?
The CAS number of Edultin is 15591-75-0.
What is the molecular formula of Edultin?
The molecular formula of Edultin is C21H22O7.
What is the molecular weight of Edultin?
The molecular weight of Edultin is 386.13657 g/mol.
Where can I buy Edultin?
You can request a quote for Edultin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Edultin?
Yes, CoreyChem provides custom synthesis services for Edultin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.