Homoisocarbacyclin
TL;DR: Homoisocarbacyclin (CAS 130377-59-2) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1S,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]pentanoic acid
Also Known As: Homoisocarbacyclin, 5-[(1S,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]pentanoic acid, 1H-Indene-5-pentanoic acid, 2,3,3a,6,7,7a-hexahydro-2-hydroxy-1-(3-hydroxy-4-methyl-4-phenoxy-1-pentenyl)-, (1S-(1alpha(1E,3S*),2beta,3aalpha,7aalpha))-, RefChem:146740
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.26 g/mol |
| LogP | 4.7395 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 782.2469 |
Chemical Identifiers
| CAS Number | 130377-59-2 |
|---|---|
| SMILES | CC(C)([C@@H](/C=C/[C@H]1[C@@H]2CCC(=C[C@@H]2C[C@@H]1O)CCCCC(=O)O)O)OC3=CC=CC=C3 |
Product Overview
Homoisocarbacyclin (CAS 130377-59-2), with molecular formula C26H36O5 and molecular weight 428.26 g/mol. IUPAC: 5-[(1S,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]pentanoic acid.
Chemical Property Profile of Homoisocarbacyclin
Property Insights of Homoisocarbacyclin
The XLogP value of 4.7395 indicates that Homoisocarbacyclin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Homoisocarbacyclin. Following Lipinski's Rule of Five, Homoisocarbacyclin has 3 hydrogen bond donor(s) and 4 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 Homoisocarbacyclin?
The CAS number of Homoisocarbacyclin is 130377-59-2.
What is the molecular formula of Homoisocarbacyclin?
The molecular formula of Homoisocarbacyclin is C26H36O5.
What is the molecular weight of Homoisocarbacyclin?
The molecular weight of Homoisocarbacyclin is 428.26 g/mol.
Where can I buy Homoisocarbacyclin?
You can request a quote for Homoisocarbacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homoisocarbacyclin?
Yes, KEHONG BIO provides custom synthesis services for Homoisocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.