4-Thiaprostaglandin E1
TL;DR: 4-Thiaprostaglandin E1 (CAS 83010-28-0) is a chemical compound with molecular formula C19H32O5S and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylsulfanyl]propanoic acid
Also Known As: 4-Thiaprostaglandin E1, 4-Thia-PGE1, 3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylsulfanyl]propanoic acid, Propanoic acid, 3-((3-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)propyl)thio)-, (1R-(1alpha,2beta(1E,3S*),3alpha))-, RefChem:100533
| Molecular Formula | C19H32O5S |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 3.038 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 372.19705 |
| Heavy Atoms | 25 |
| Complexity | 437.5304 |
Chemical Identifiers
| CAS Number | 83010-28-0 |
|---|---|
| SMILES | CCCCCC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCSCCC(=O)O)O)O |
Product Overview
4-Thiaprostaglandin E1 (CAS 83010-28-0), with molecular formula C19H32O5S and molecular weight 372.20 g/mol. IUPAC: 3-[3-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propylsulfanyl]propanoic acid.
Chemical Property Profile of 4-Thiaprostaglandin E1
Property Insights of 4-Thiaprostaglandin E1
The XLogP value of 3.038 indicates that 4-Thiaprostaglandin E1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiaprostaglandin E1. Following Lipinski's Rule of Five, 4-Thiaprostaglandin E1 has 3 hydrogen bond donor(s) and 5 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 4-Thiaprostaglandin E1?
The CAS number of 4-Thiaprostaglandin E1 is 83010-28-0.
What is the molecular formula of 4-Thiaprostaglandin E1?
The molecular formula of 4-Thiaprostaglandin E1 is C19H32O5S.
What is the molecular weight of 4-Thiaprostaglandin E1?
The molecular weight of 4-Thiaprostaglandin E1 is 372.20 g/mol.
Where can I buy 4-Thiaprostaglandin E1?
You can request a quote for 4-Thiaprostaglandin E1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiaprostaglandin E1?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiaprostaglandin E1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.