Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)
TL;DR: Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) (CAS 105892-13-5) is a chemical compound with molecular formula C13H18ClNO4S and molecular weight 319.0645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanylacetic acid;2-(1,3-oxazolidin-3-yl)ethanol
Also Known As: ((4-Chlorophenyl)thio)acetic acid 3-oxazolidineethanol (1:1), 1-Methyl-5,5-diethyl-4-methylthiobarbituric acid, ACETIC ACID, ((4-CHLOROPHENYL)THIO)-, compd. with 3-OXAZOLIDINEETHANOL (1:1), ((4-Chlorophenyl)thio)aceticacid3-oxazolidineethanol(1:1), 2-(4-chlorophenyl)sulfanylacetic acid;2-(1,3-oxazolidin-3-yl)ethanol
Technical Specifications
| Molecular Formula | C13H18ClNO4S |
| Molecular Weight | 319.0645 g/mol |
| XLogP | 1.79 |
| Topological Polar Surface Area (TPSA) | 95.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0645 Da |
| Heavy Atoms | 20 |
| Complexity | 223.0 |
| SMILES | C1COCN1CCO.C1=CC(=CC=C1SCC(=O)O)Cl |
| InChIKey | XJQIJANVRFEVNS-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)
Property Insights of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1). The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1). Following Lipinski's Rule of Five, Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) 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
What is the CAS number of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)?
The CAS number of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) is 105892-13-5.
What is the molecular formula of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)?
The molecular formula of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) is C13H18ClNO4S.
What is the molecular weight of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)?
The molecular weight of Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) is 319.0645 g/mol.
Where can I buy Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)?
You can request a quote for Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.