(E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione
TL;DR: (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione (CAS 122588-63-0) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione
Also Known As: Sporostatin, M 5032, Isolated from a fungus of Sporormiella sp.M5032, (6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione, (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione
Technical Specifications
| Molecular Formula | C14H14O5 |
| Molecular Weight | 262.08414 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.08414 Da |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
| SMILES | CC1C/C=C\C(=O)C2=C(CC(=O)O1)C=C(C=C2O)O |
| InChIKey | UCKXWYAPJJITRZ-RQOWECAXSA-N |
Chemical Property Profile of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione
Property Insights of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione. Following Lipinski's Rule of Five, (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione has 2 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 (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione?
The CAS number of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione is 122588-63-0.
What is the molecular formula of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione?
The molecular formula of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione is C14H14O5.
What is the molecular weight of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione?
The molecular weight of (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione is 262.08414 g/mol.
Where can I buy (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione?
You can request a quote for (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione?
Yes, CoreyChem provides custom synthesis services for (E)-4,5-Dihydro-9,11-dihydroxy-4-methyl-2H-3-benzoxecin-2,8(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.