![2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid structure](/static/products/2002/2002-92-8.webp)
2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid
TL;DR: 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid (CAS 2002-92-8) is a chemical compound with molecular formula C9H17NO4S2 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,1-dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 3-(Pentafluorophenyl)propionic acid, (1,1-Dioxidotetrahydrothiophen-3-yl)methionine, BAS 00279519, 2-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl-amino)-4-methylsulfanylbutyric acid, 2-[(1,1-dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C9H17NO4S2 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | -0.0306 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.0599 |
| Heavy Atoms | 16 |
| Complexity | 341.41815 |
Chemical Identifiers
| CAS Number | 2002-92-8 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC1CCS(=O)(=O)C1 |
Product Overview
2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid (CAS 2002-92-8), with molecular formula C9H17NO4S2 and molecular weight 267.06 g/mol. IUPAC: 2-[(1,1-dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid
Property Insights of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid
The XLogP value of -0.0306 indicates that 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid. Following Lipinski's Rule of Five, 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid has 2 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 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid?
The CAS number of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid is 2002-92-8.
What is the molecular formula of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid?
The molecular formula of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid is C9H17NO4S2.
What is the molecular weight of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid?
The molecular weight of 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid is 267.06 g/mol.
Where can I buy 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid?
You can request a quote for 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylsulfanylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.