3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione
TL;DR: 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione (CAS 128855-21-0) is a chemical compound with molecular formula C19H24O6 and molecular weight 348.1573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,4R,7R,7aR)-4-[2-(2,3-dihydroxy-6-methylphenyl)-1-hydroxyethyl]-7-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Also Known As: THSAT, KST-1A0996, 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione, (3as,4r,7r,7ar)-4-[2-(2,3-dihydroxy-6-methyl-phenyl)-1-hydroxy-ethyl]-7-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione, (3aS,4R,7R,7aR)-4-[2-(2,3-dihydroxy-6-methylphenyl)-1-hydroxyethyl]-7-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
Technical Specifications
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.1573 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.1573 Da |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
| SMILES | CC1=C(C(=C(C=C1)O)O)CC([C@H]2[C@@H]3CCC(=O)[C@]3([C@@H](CC2=O)O)C)O |
| InChIKey | YFZJGCLOFUBQST-YBPXMJGFSA-N |
Chemical Property Profile of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione
Property Insights of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione. Following Lipinski's Rule of Five, 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione has 4 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 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione?
The CAS number of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione is 128855-21-0.
What is the molecular formula of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione?
The molecular formula of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione is C19H24O6.
What is the molecular weight of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione?
The molecular weight of 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione is 348.1573 g/mol.
Where can I buy 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione?
You can request a quote for 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione?
Yes, CoreyChem provides custom synthesis services for 3,4,7,12-Tetrahydroxy-9,10-seco-1,3,5(10)-androstatriene-9,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.