![2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid structure](/static/products/7487/748776-67-2.webp)
2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
TL;DR: 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 748776-67-2) is a chemical compound with molecular formula C13H11NO6S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxy-2-methylsulfanylethyl)-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(1-Carboxy-2-methylsulfanyl-ethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-(1-carboxy-2-methylsulfanylethyl)-1,3-dioxoisoindole-5-carboxylic acid, 2-(1-carboxy-2-methylsulfanyl-ethyl)-1,3-dioxo-isoindole-5-carboxylic Acid, 2-(1-hydroxy-3-methylsulfanyl-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
| Molecular Formula | C13H11NO6S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 0.797 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.0307 |
| Heavy Atoms | 21 |
| Complexity | 656.0616 |
Chemical Identifiers
| CAS Number | 748776-67-2 |
|---|---|
| SMILES | CSCC(C(=O)O)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O |
Product Overview
2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid (CAS 748776-67-2), with molecular formula C13H11NO6S and molecular weight 309.03 g/mol. IUPAC: 2-(1-carboxy-2-methylsulfanylethyl)-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Property Insights of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
The XLogP value of 0.797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic 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-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The CAS number of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 748776-67-2.
What is the molecular formula of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is C13H11NO6S.
What is the molecular weight of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight of 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid is 309.03 g/mol.
Where can I buy 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
You can request a quote for 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic 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-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-carboxy-2-(methylsulfanyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.