7-Oxoprostacyclin
TL;DR: 7-Oxoprostacyclin (CAS 79821-50-4) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
Also Known As: 7-Oxoprostacyclin, 7-Oxo-pgi2-Na, 7-oxoprostaglandin I2, 7-Ketoprostaglandin I(2), (5Z)-5-[(1S,3R,4R,5R)-3-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxo-8-oxabicyclo[3.3.0]oct-7-ylidene]pentanoic acid
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 79821-50-4 |
|---|---|
| SMILES | CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1C(=O)C(=CCCCC(=O)O)O2)O)O |
| InChIKey | ZHIHHYNLWRXTTN-BBHOWBALSA-N |
Product Overview
7-Oxoprostacyclin (CAS 79821-50-4), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid.
Chemical Property Profile of 7-Oxoprostacyclin
Property Insights of 7-Oxoprostacyclin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxoprostacyclin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxoprostacyclin. Following Lipinski's Rule of Five, 7-Oxoprostacyclin 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
Frequently Asked Questions
What is the CAS number of 7-Oxoprostacyclin?
The CAS number of 7-Oxoprostacyclin is 79821-50-4.
What is the molecular formula of 7-Oxoprostacyclin?
The molecular formula of 7-Oxoprostacyclin is C20H30O6.
What is the molecular weight of 7-Oxoprostacyclin?
The molecular weight of 7-Oxoprostacyclin is 366.20 g/mol.
Where can I buy 7-Oxoprostacyclin?
You can request a quote for 7-Oxoprostacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxoprostacyclin?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxoprostacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.