11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester
TL;DR: 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester (CAS 74412-44-5) is a chemical compound with molecular formula C23H38O5S and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Also Known As: Dhet-PGE2, 11-Deoxy-11alpha-(2-hydroxyethylthio)-PGE2 methyl ester, 11-Deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester, methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate, Prosta-5,13-dien-1-oic acid, 15-hydroxy-11-((2-hydroxyethyl)thio)-9-oxo-, methyl ester, (5Z,11alpha,13E,15S)-
| Molecular Formula | C23H38O5S |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 4.0727 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 426.244 |
| Heavy Atoms | 29 |
| Complexity | 531.3612 |
Chemical Identifiers
| CAS Number | 74412-44-5 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)SCCO)O |
Product Overview
11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester (CAS 74412-44-5), with molecular formula C23H38O5S and molecular weight 426.24 g/mol. IUPAC: methyl (Z)-7-[(1R,2R,3R)-3-(2-hydroxyethylsulfanyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate.
Chemical Property Profile of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester
Property Insights of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester
The XLogP value of 4.0727 indicates that 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester. Following Lipinski's Rule of Five, 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester has 2 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 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester?
The CAS number of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester is 74412-44-5.
What is the molecular formula of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester?
The molecular formula of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester is C23H38O5S.
What is the molecular weight of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester?
The molecular weight of 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester is 426.24 g/mol.
Where can I buy 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester?
You can request a quote for 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 11-deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.