3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone
TL;DR: 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone (CAS 113411-11-3) is a chemical compound with molecular formula C10H13N3O4S and molecular weight 271.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(2-hydroxyethylsulfanyl)-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile
Also Known As: 4-Hydroxy Fosinoprilat, Sid 701009, 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone, 3-((2-Hydroxyethyl)thio)-4-oxo-5-((2-oxo-3-oxazolidinyl)imino)pentanenitrile, 3-(4-Cyano-3-beta-hydroxyethyl-mercapto-2-oxobutylideneamino)-2-oxazolidone
Technical Specifications
| Molecular Formula | C10H13N3O4S |
| Molecular Weight | 271.06268 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.06268 Da |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
| SMILES | C1COC(=O)N1/N=C\C(=O)C(CC#N)SCCO |
| InChIKey | MBSMKAWUFQXZME-GHXNOFRVSA-N |
Chemical Property Profile of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone
Property Insights of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone
The XLogP value of -0.5 indicates that 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone. Following Lipinski's Rule of Five, 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone has 1 hydrogen bond donor(s) and 7 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-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone?
The CAS number of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone is 113411-11-3.
What is the molecular formula of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone?
The molecular formula of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone is C10H13N3O4S.
What is the molecular weight of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone?
The molecular weight of 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone is 271.06268 g/mol.
Where can I buy 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone?
You can request a quote for 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone?
Yes, CoreyChem provides custom synthesis services for 3-(4-Cyano-3-beta-hydroxyethylmercapto-2-oxobutylideneamino)-2-oxazolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.