3-Oxahomoisocarbacyclin
TL;DR: 3-Oxahomoisocarbacyclin (CAS 127127-92-8) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.23553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(1R,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
Also Known As: 3-Oxahomoisocarbacyclin, TY 10957, 2-[2-[(1R,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
Technical Specifications
| Molecular Formula | C25H34O6 |
| Molecular Weight | 430.23553 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.23553 Da |
| Heavy Atoms | 31 |
| Complexity | 648.0 |
| SMILES | CC(C)([C@@H](/C=C/[C@@H]1[C@@H]2CCC(=C[C@@H]2C[C@@H]1O)CCOCC(=O)O)O)OC3=CC=CC=C3 |
| InChIKey | MYKBQVAHYUHFQI-LKZKSTISSA-N |
Chemical Property Profile of 3-Oxahomoisocarbacyclin
Property Insights of 3-Oxahomoisocarbacyclin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxahomoisocarbacyclin. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxahomoisocarbacyclin. Following Lipinski's Rule of Five, 3-Oxahomoisocarbacyclin has 3 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-Oxahomoisocarbacyclin?
The CAS number of 3-Oxahomoisocarbacyclin is 127127-92-8.
What is the molecular formula of 3-Oxahomoisocarbacyclin?
The molecular formula of 3-Oxahomoisocarbacyclin is C25H34O6.
What is the molecular weight of 3-Oxahomoisocarbacyclin?
The molecular weight of 3-Oxahomoisocarbacyclin is 430.23553 g/mol.
Where can I buy 3-Oxahomoisocarbacyclin?
You can request a quote for 3-Oxahomoisocarbacyclin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxahomoisocarbacyclin?
Yes, CoreyChem provides custom synthesis services for 3-Oxahomoisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.