17,20-Dimethylisocarbacyclin
TL;DR: 17,20-Dimethylisocarbacyclin (CAS 122168-74-5) is a chemical compound with molecular formula C22H36O4 and molecular weight 364.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aR,5S,6S,6aR)-5-hydroxy-6-[(E,3R)-3-hydroxynon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Also Known As: 17,20-Dimethylisocarbacyclin, Tei 9063, 5-[(3aR,5S,6S,6aR)-5-hydroxy-6-[(E,3R)-3-hydroxynon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid, 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-nonenyl)-, (3aR-(3aalpha,5beta,6alpha(1E,3R*),6aalpha))-
Technical Specifications
| Molecular Formula | C22H36O4 |
| Molecular Weight | 364.26135 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 364.26135 Da |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
| SMILES | CCCCCC[C@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1CC(=C2)CCCCC(=O)O)O)O |
| InChIKey | YEZIMJFDHJLYCT-DLPDBRSHSA-N |
Chemical Property Profile of 17,20-Dimethylisocarbacyclin
Property Insights of 17,20-Dimethylisocarbacyclin
The XLogP value of 3.9 indicates that 17,20-Dimethylisocarbacyclin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,20-Dimethylisocarbacyclin. Following Lipinski's Rule of Five, 17,20-Dimethylisocarbacyclin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 17,20-Dimethylisocarbacyclin?
The CAS number of 17,20-Dimethylisocarbacyclin is 122168-74-5.
What is the molecular formula of 17,20-Dimethylisocarbacyclin?
The molecular formula of 17,20-Dimethylisocarbacyclin is C22H36O4.
What is the molecular weight of 17,20-Dimethylisocarbacyclin?
The molecular weight of 17,20-Dimethylisocarbacyclin is 364.26135 g/mol.
Where can I buy 17,20-Dimethylisocarbacyclin?
You can request a quote for 17,20-Dimethylisocarbacyclin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17,20-Dimethylisocarbacyclin?
Yes, CoreyChem provides custom synthesis services for 17,20-Dimethylisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.