5-Methyleneisocarbacyclin
TL;DR: 5-Methyleneisocarbacyclin (CAS 109838-17-7) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 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]hex-5-enoic acid
Also Known As: 5-Methyleneisocarbacyclin, 5-MM-Pgi, 5-Methylene-9(0)-methano-delta(6)-prostaglandin I(1), 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]hex-5-enoic acid, 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-delta-methylene-, (3aS-(3aalpha,5beta,6alpha(1E*,3R*),6aalpha))-
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 4.2382 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 548.3455 |
Chemical Identifiers
| CAS Number | 109838-17-7 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)C(=C)CCCC(=O)O)O)O |
Product Overview
5-Methyleneisocarbacyclin (CAS 109838-17-7), with molecular formula C22H34O4 and molecular weight 362.25 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]hex-5-enoic acid.
Chemical Property Profile of 5-Methyleneisocarbacyclin
Property Insights of 5-Methyleneisocarbacyclin
The XLogP value of 4.2382 indicates that 5-Methyleneisocarbacyclin 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 5-Methyleneisocarbacyclin. Following Lipinski's Rule of Five, 5-Methyleneisocarbacyclin 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 5-Methyleneisocarbacyclin?
The CAS number of 5-Methyleneisocarbacyclin is 109838-17-7.
What is the molecular formula of 5-Methyleneisocarbacyclin?
The molecular formula of 5-Methyleneisocarbacyclin is C22H34O4.
What is the molecular weight of 5-Methyleneisocarbacyclin?
The molecular weight of 5-Methyleneisocarbacyclin is 362.25 g/mol.
Where can I buy 5-Methyleneisocarbacyclin?
You can request a quote for 5-Methyleneisocarbacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyleneisocarbacyclin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyleneisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.