3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
TL;DR: 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 831242-83-2) is a chemical compound with molecular formula C19H15ClN2O5S and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid
Also Known As: 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid, 3-[5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-dioxo-isoindol-2-yl]propanoic Acid, 3-[5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid, 3-[5-({[(4-chlorophenyl)sulfanyl]acetyl}amino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid, 3-[5-({[(4-chlorophenyl)thio]acetyl}amino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]propanoic acid
| Molecular Formula | C19H15ClN2O5S |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 3.1415 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.03903 |
| Heavy Atoms | 28 |
| Complexity | 961.2964 |
Chemical Identifiers
| CAS Number | 831242-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O)Cl |
Product Overview
3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 831242-83-2), with molecular formula C19H15ClN2O5S and molecular weight 418.04 g/mol. IUPAC: 3-[5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-dioxoisoindol-2-yl]propanoic acid.
Chemical Property Profile of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
Property Insights of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid
The XLogP value of 3.1415 indicates that 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic 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 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The CAS number of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is 831242-83-2.
What is the molecular formula of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular formula of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is C19H15ClN2O5S.
What is the molecular weight of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular weight of 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid is 418.04 g/mol.
Where can I buy 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
You can request a quote for 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-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-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(2-((4-chlorophenyl)thio)acetamido)-1,3-dioxoisoindolin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.