2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
TL;DR: 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid (CAS 62249-62-1) is a chemical compound with molecular formula C9H11NO4S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid
Also Known As: N-maleoylmethionine, starbld0031697, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid, 2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid, J1.194.594E
| Molecular Formula | C9H11NO4S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.04088 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 62249-62-1 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=O)C=CC1=O |
| InChIKey | ATFCLRKMRVDLPC-UHFFFAOYSA-N |
Product Overview
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid (CAS 62249-62-1), with molecular formula C9H11NO4S and molecular weight 229.04 g/mol. IUPAC: 2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
Property Insights of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid has 1 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-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid is 62249-62-1.
What is the molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid is C9H11NO4S.
What is the molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid is 229.04 g/mol.
Where can I buy 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.