Isotenulin
TL;DR: Isotenulin (CAS 10092-04-3) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Also Known As: Isotenulin, Homohalichondrin B, KST-1A0340, (3r,3ar,4r,4ar,8r,9as)-3,4a,8-trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, [(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate
Technical Specifications
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.14673 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 Da |
| Heavy Atoms | 22 |
| Complexity | 565.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]([C@H](C(=O)O2)C)[C@H]([C@]3(C1C=CC3=O)C)OC(=O)C |
| InChIKey | NEIIKBWBBCJSQU-DGIONXRUSA-N |
Chemical Property Profile of Isotenulin
Property Insights of Isotenulin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotenulin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotenulin. Following Lipinski's Rule of Five, Isotenulin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isotenulin?
The CAS number of Isotenulin is 10092-04-3.
What is the molecular formula of Isotenulin?
The molecular formula of Isotenulin is C17H22O5.
What is the molecular weight of Isotenulin?
The molecular weight of Isotenulin is 306.14673 g/mol.
Where can I buy Isotenulin?
You can request a quote for Isotenulin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isotenulin?
Yes, CoreyChem provides custom synthesis services for Isotenulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.