Isovaltrate
TL;DR: Isovaltrate (CAS 31078-10-1) is a chemical compound with molecular formula C22H30O8 and molecular weight 422.19406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
Also Known As: Isovaltrate, Isovaltratum, Stephaglabrine, Alytesin, Isovaltrate/valtrate
Technical Specifications
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.19406 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 422.19406 Da |
| Heavy Atoms | 30 |
| Complexity | 765.0 |
| SMILES | CC(C)CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)CC(C)C |
| InChIKey | XLACUABANMZLCJ-KVJIRVJXSA-N |
Chemical Property Profile of Isovaltrate
Property Insights of Isovaltrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaltrate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isovaltrate. Following Lipinski's Rule of Five, Isovaltrate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isovaltrate?
The CAS number of Isovaltrate is 31078-10-1.
What is the molecular formula of Isovaltrate?
The molecular formula of Isovaltrate is C22H30O8.
What is the molecular weight of Isovaltrate?
The molecular weight of Isovaltrate is 422.19406 g/mol.
Where can I buy Isovaltrate?
You can request a quote for Isovaltrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isovaltrate?
Yes, CoreyChem provides custom synthesis services for Isovaltrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.