Isocarbacyclin
TL;DR: Isocarbacyclin (CAS 88931-59-3) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Also Known As: Isocarbacyclin, Clinprost acid, 9-O-methanoprostaglandin I, (+)-ISOCARBACYCLIN, 13,14-Didehydroisocarbacyclin
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 4.0721 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 482.28772 |
Chemical Identifiers
| CAS Number | 88931-59-3 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O)O |
Product Overview
Isocarbacyclin (CAS 88931-59-3), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid.
Chemical Property Profile of Isocarbacyclin
Property Insights of Isocarbacyclin
The XLogP value of 4.0721 indicates that Isocarbacyclin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocarbacyclin. Following Lipinski's Rule of Five, Isocarbacyclin has 3 hydrogen bond donor(s) and 3 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 Isocarbacyclin?
The CAS number of Isocarbacyclin is 88931-59-3.
What is the molecular formula of Isocarbacyclin?
The molecular formula of Isocarbacyclin is C21H34O4.
What is the molecular weight of Isocarbacyclin?
The molecular weight of Isocarbacyclin is 350.25 g/mol.
Where can I buy Isocarbacyclin?
You can request a quote for Isocarbacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocarbacyclin?
Yes, KEHONG BIO provides custom synthesis services for Isocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.