![2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid structure](/static/products/956/956411-89-5.png)
2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid
TL;DR: 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid (CAS 956411-89-5) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoic acid
Also Known As: 2-{[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid, 2-{[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]thio}benzoic acid, 2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoic acid, 2-[(4-methyl-2,5-dioxo-imidazolidin-4-yl)methylsulfanyl]benzoic Acid, 2-([(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]thio)benzoic acid
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.075 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 560.4153 |
Chemical Identifiers
| CAS Number | 956411-89-5 |
|---|---|
| SMILES | CC1(C(=O)NC(=O)N1)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid (CAS 956411-89-5), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: 2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzoic acid.
Chemical Property Profile of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid
Property Insights of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid
The XLogP value of 1.075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid has 3 hydrogen bond donor(s) and 4 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-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid?
The CAS number of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid is 956411-89-5.
What is the molecular formula of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid is C12H12N2O4S.
What is the molecular weight of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid is 280.05 g/mol.
Where can I buy 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Methyl-2,5-dioxoimidazolidin-4-yl)methyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.