1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
TL;DR: 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione (CAS 74051-00-6) is a chemical compound with molecular formula C20H28O7 and molecular weight 380.1835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione
Also Known As: Chaparrin, NCIOpen2_008674, KST-1B8520, 1,2,12,20-tetrahydroxypicras-3-ene-11,16-dione, 1-Phenanthreneacetic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-3,5,6,10-tetrahydroxy-10a-(hydroxymethyl)-2,4b,8-trimethyl-4-oxo-, 10-(alpha-lactone)
Technical Specifications
| Molecular Formula | C20H28O7 |
| Molecular Weight | 380.1835 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.1835 Da |
| Heavy Atoms | 27 |
| Complexity | 717.0 |
| SMILES | CC1C2CC(=O)OC3C2(C(C(=O)C1O)C4(C(C3)C(=CC(C4O)O)C)C)CO |
| InChIKey | NICGZSVOGGAMTD-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
Property Insights of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
The XLogP value of -0.8 indicates that 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione. Following Lipinski's Rule of Five, 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione has 4 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 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione?
The CAS number of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione is 74051-00-6.
What is the molecular formula of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione?
The molecular formula of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione is C20H28O7.
What is the molecular weight of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione?
The molecular weight of 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione is 380.1835 g/mol.
Where can I buy 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione?
You can request a quote for 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione?
Yes, CoreyChem provides custom synthesis services for 1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.