![4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid structure](/static/products/3282/328288-94-4.webp)
4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
TL;DR: 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid (CAS 328288-94-4) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid
Also Known As: 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid, 4-({[(1-methyl-1H-imidazol-2-yl)thio]acetyl}amino)benzoic acid, 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic Acid, 4-(2-((1-methyl-1H-imidazol-2-yl)thio)acetamido)benzoic acid, 4-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoic acid
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 328288-94-4 |
|---|---|
| SMILES | CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | DBAMZNIFKHXJAW-UHFFFAOYSA-N |
Product Overview
4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid (CAS 328288-94-4), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoic acid.
Chemical Property Profile of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
Property Insights of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic 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 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid?
The CAS number of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid is 328288-94-4.
What is the molecular formula of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid?
The molecular formula of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid is C13H13N3O3S.
What is the molecular weight of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid?
The molecular weight of 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid is 291.07 g/mol.
Where can I buy 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid?
You can request a quote for 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.