3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid
TL;DR: 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid (CAS 52689-20-0) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
Also Known As: 3-(1-BENZYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YL)PROPANOIC ACID, 6-ACETYLNICOTINONITRILE, CHEMBRDG-BB 6570808, CHEMBRDG-BB6570808, 3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.1367 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 503.8696 |
Chemical Identifiers
| CAS Number | 52689-20-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(NC2=S)CCC(=O)O |
Product Overview
3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid (CAS 52689-20-0), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 3-(1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid.
Chemical Property Profile of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid
Property Insights of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid
The XLogP value of 1.1367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid. Following Lipinski's Rule of Five, 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid has 2 hydrogen bond donor(s) and 3 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 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid?
The CAS number of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid is 52689-20-0.
What is the molecular formula of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid?
The molecular formula of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid is C13H14N2O3S.
What is the molecular weight of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid?
The molecular weight of 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid is 278.07 g/mol.
Where can I buy 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid?
You can request a quote for 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzyl-5-oxo-2-thioxoimidazolidin-4-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.