Nitriloprostaglandin I2
TL;DR: Nitriloprostaglandin I2 (CAS 67496-60-0) is a chemical compound with molecular formula C20H33NO4 and molecular weight 351.24 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-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
Also Known As: Nitriloprostaglandin I2, Nitrilo-pgi2, 9-Deoxy-9 alpha,6-nitrilo-pgf1alpha hydrochloride, 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid, cyclopenta(b)pyrrole-2-pentanoic acid, 3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)-, (3aR-(3a alpha,4 alpha(1E,3S*),5 beta,6a alpha))-
| Molecular Formula | C20H33NO4 |
|---|---|
| Molecular Weight | 351.24 g/mol |
| LogP | 3.3391 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 351.24097 |
| Heavy Atoms | 25 |
| Complexity | 488.08783 |
Chemical Identifiers
| CAS Number | 67496-60-0 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=N2)CCCCC(=O)O)O)O |
Product Overview
Nitriloprostaglandin I2 (CAS 67496-60-0), with molecular formula C20H33NO4 and molecular weight 351.24 g/mol. IUPAC: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid.
Chemical Property Profile of Nitriloprostaglandin I2
Property Insights of Nitriloprostaglandin I2
The XLogP value of 3.3391 indicates that Nitriloprostaglandin I2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitriloprostaglandin I2. Following Lipinski's Rule of Five, Nitriloprostaglandin I2 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 Nitriloprostaglandin I2?
The CAS number of Nitriloprostaglandin I2 is 67496-60-0.
What is the molecular formula of Nitriloprostaglandin I2?
The molecular formula of Nitriloprostaglandin I2 is C20H33NO4.
What is the molecular weight of Nitriloprostaglandin I2?
The molecular weight of Nitriloprostaglandin I2 is 351.24 g/mol.
Where can I buy Nitriloprostaglandin I2?
You can request a quote for Nitriloprostaglandin I2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitriloprostaglandin I2?
Yes, KEHONG BIO provides custom synthesis services for Nitriloprostaglandin I2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.