7-oxo-prostaglandin I2-ephedrine
TL;DR: 7-oxo-prostaglandin I2-ephedrine (CAS 108590-75-6) is a chemical compound with molecular formula C30H45NO7 and molecular weight 531.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Also Known As: 7-Keto-pgi2-ephedrine, Chinoin 169, 7-Oxo-prostaglandin I2-ephedrine, (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid,(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol, (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
| Molecular Formula | C30H45NO7 |
|---|---|
| Molecular Weight | 531.32 g/mol |
| LogP | 3.9154 |
| Topological Polar Surface Area | 136.32 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 531.3196 |
| Heavy Atoms | 38 |
| Complexity | 916.4363 |
Chemical Identifiers
| CAS Number | 108590-75-6 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]2[C@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O)O.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC |
Product Overview
7-oxo-prostaglandin I2-ephedrine (CAS 108590-75-6), with molecular formula C30H45NO7 and molecular weight 531.32 g/mol. IUPAC: (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol.
Chemical Property Profile of 7-oxo-prostaglandin I2-ephedrine
Property Insights of 7-oxo-prostaglandin I2-ephedrine
The XLogP value of 3.9154 indicates that 7-oxo-prostaglandin I2-ephedrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-oxo-prostaglandin I2-ephedrine. Following Lipinski's Rule of Five, 7-oxo-prostaglandin I2-ephedrine has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-oxo-prostaglandin I2-ephedrine?
The CAS number of 7-oxo-prostaglandin I2-ephedrine is 108590-75-6.
What is the molecular formula of 7-oxo-prostaglandin I2-ephedrine?
The molecular formula of 7-oxo-prostaglandin I2-ephedrine is C30H45NO7.
What is the molecular weight of 7-oxo-prostaglandin I2-ephedrine?
The molecular weight of 7-oxo-prostaglandin I2-ephedrine is 531.32 g/mol.
Where can I buy 7-oxo-prostaglandin I2-ephedrine?
You can request a quote for 7-oxo-prostaglandin I2-ephedrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-oxo-prostaglandin I2-ephedrine?
Yes, KEHONG BIO provides custom synthesis services for 7-oxo-prostaglandin I2-ephedrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.