3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid
TL;DR: 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid (CAS 127163-51-3) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.05687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
Also Known As: 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid, 3- -PROPIONICACID, 3-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)propanoic acid, 95% +(stabilized with TBC), CHEMBRDG-BB 6538728
Technical Specifications
| Molecular Formula | C9H12N2O3S |
| Molecular Weight | 228.05687 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05687 Da |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
| SMILES | C=CCN1C(=O)C(NC1=S)CCC(=O)O |
| InChIKey | RHUKJPGKFXOINC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid
Property Insights of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid?
The CAS number of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid is 127163-51-3.
What is the molecular formula of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid?
The molecular formula of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid is C9H12N2O3S.
What is the molecular weight of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid?
The molecular weight of 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid is 228.05687 g/mol.
Where can I buy 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid?
You can request a quote for 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Allyl-5-oxo-2-thioxo-imidazolidin-4-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.