3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid
TL;DR: 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid (CAS 733030-45-0) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoic acid
Also Known As: 3-[5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl]propanoic acid, 3-{5-[(dimethylamino)sulfonyl]-1-methyl-1H-benzimidazol-2-yl}propanoic acid, 3-[5-[(dimethylamino)sulfonyl]-1-methyl-1h-benzimidazol-2-yl]propanoic acid, 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoic acid, 3-(5-Dimethylsulfamoyl-1-methyl-1H-benzoimidazol-2-yl)-propionic acid
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 0.8408 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 793.0944 |
Chemical Identifiers
| CAS Number | 733030-45-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)O |
Product Overview
3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid (CAS 733030-45-0), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoic acid.
Chemical Property Profile of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid
Property Insights of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid
The XLogP value of 0.8408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid has 1 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 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The CAS number of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid is 733030-45-0.
What is the molecular formula of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular formula of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid is C13H17N3O4S.
What is the molecular weight of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular weight of 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid is 311.09 g/mol.
Where can I buy 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
You can request a quote for 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-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-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(dimethylsulfamoyl)-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.