Semiatrin
TL;DR: Semiatrin (CAS 1128-44-5) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,6aR,7S,8R)-5-hydroxy-7-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
Also Known As: Semiatrin, KST-1A0612, (5s,6ar,7s,8r)-5-hydroxy-7-[(2s)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyl-6,6a,7,8,9,10-hexahydronaphtho[1,8a-c]furan-3(5h)-one, (5S,6aR,7S,8R)-5-Hydroxy-7-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyl-6,6a,7,8,9,10-hexahydro-1H-naphtho[1,8a-c]furan-3(5H)-one, (5S,6aR,7S,8R)-5-hydroxy-7-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
Technical Specifications
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.17294 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17294 Da |
| Heavy Atoms | 26 |
| Complexity | 709.0 |
| SMILES | C[C@@H]1CCC23COC(=O)C2=C[C@H](C[C@@H]3[C@@]1(C)C[C@@H](C4=CC(=O)OC4)O)O |
| InChIKey | YMXYUVLKDSNDBJ-CVSJKNBKSA-N |
Chemical Property Profile of Semiatrin
Property Insights of Semiatrin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semiatrin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Semiatrin. Following Lipinski's Rule of Five, Semiatrin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Semiatrin?
The CAS number of Semiatrin is 1128-44-5.
What is the molecular formula of Semiatrin?
The molecular formula of Semiatrin is C20H26O6.
What is the molecular weight of Semiatrin?
The molecular weight of Semiatrin is 362.17294 g/mol.
Where can I buy Semiatrin?
You can request a quote for Semiatrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Semiatrin?
Yes, CoreyChem provides custom synthesis services for Semiatrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.