5-Nitroprostaglandin I1
TL;DR: 5-Nitroprostaglandin I1 (CAS 93984-39-5) is a chemical compound with molecular formula C20H33NO7 and molecular weight 399.23 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-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitropentanoic acid
Also Known As: 5-Nitroprostaglandin I1, 5-Nitro-pgi1, 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitropentanoic acid, Prost-13-en-1-oic acid, 6,9-epoxy-11,15-dihydroxy-5-nitro-, (9alpha,11alpha,13E,15S)-, RefChem:103273
| Molecular Formula | C20H33NO7 |
|---|---|
| Molecular Weight | 399.23 g/mol |
| LogP | 2.5385 |
| Topological Polar Surface Area | 130.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 399.2257 |
| Heavy Atoms | 28 |
| Complexity | 552.6723 |
Chemical Identifiers
| CAS Number | 93984-39-5 |
|---|---|
| SMILES | CCCCC[C@H](/C=C\[C@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)C(CCCC(=O)O)[N+](=O)[O-])O)O |
Product Overview
5-Nitroprostaglandin I1 (CAS 93984-39-5), with molecular formula C20H33NO7 and molecular weight 399.23 g/mol. IUPAC: 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(Z,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-nitropentanoic acid.
Chemical Property Profile of 5-Nitroprostaglandin I1
Property Insights of 5-Nitroprostaglandin I1
The XLogP value of 2.5385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitroprostaglandin I1. The TPSA of 130.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitroprostaglandin I1. Following Lipinski's Rule of Five, 5-Nitroprostaglandin I1 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 5-Nitroprostaglandin I1?
The CAS number of 5-Nitroprostaglandin I1 is 93984-39-5.
What is the molecular formula of 5-Nitroprostaglandin I1?
The molecular formula of 5-Nitroprostaglandin I1 is C20H33NO7.
What is the molecular weight of 5-Nitroprostaglandin I1?
The molecular weight of 5-Nitroprostaglandin I1 is 399.23 g/mol.
Where can I buy 5-Nitroprostaglandin I1?
You can request a quote for 5-Nitroprostaglandin I1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroprostaglandin I1?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroprostaglandin I1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.