3-Oxaisocarbacyclin
TL;DR: 3-Oxaisocarbacyclin (CAS 1064051-97-3) is a chemical compound with molecular formula C20H32O5 and molecular weight 352.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
Also Known As: 3-Oxaisocarbacyclin, 3-Oxa-9(O)-methano-delta(6,9)prostaglandin I(1), 3-Oxa-9(O)-methano-delta(6(9alpha))-prostaglandin I1, 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid, tert-Butyl N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
Technical Specifications
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.22498 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 352.22498 Da |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCOCC(=O)O)O)O |
| InChIKey | OXEROCNJZXXLDX-BJNWZJAMSA-N |
Chemical Property Profile of 3-Oxaisocarbacyclin
Property Insights of 3-Oxaisocarbacyclin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxaisocarbacyclin. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxaisocarbacyclin. Following Lipinski's Rule of Five, 3-Oxaisocarbacyclin has 3 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 3-Oxaisocarbacyclin?
The CAS number of 3-Oxaisocarbacyclin is 1064051-97-3.
What is the molecular formula of 3-Oxaisocarbacyclin?
The molecular formula of 3-Oxaisocarbacyclin is C20H32O5.
What is the molecular weight of 3-Oxaisocarbacyclin?
The molecular weight of 3-Oxaisocarbacyclin is 352.22498 g/mol.
Where can I buy 3-Oxaisocarbacyclin?
You can request a quote for 3-Oxaisocarbacyclin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxaisocarbacyclin?
Yes, CoreyChem provides custom synthesis services for 3-Oxaisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.