3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid
TL;DR: 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid (CAS 847782-00-7) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.07834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)propanoic acid
Also Known As: 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid, 3-[5-(aminosulfonyl)-1-ethyl-1H-benzimidazol-2-yl]propanoic acid, 3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)propanoic acid, 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanoic acid, 3-(1-ethyl-5-sulfamoyl-benzoimidazol-2-yl)propanoic Acid
Technical Specifications
| Molecular Formula | C12H15N3O4S |
| Molecular Weight | 297.07834 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.07834 Da |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)O |
| InChIKey | IUQLTHCWGBTHMQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid
Property Insights of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The CAS number of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid is 847782-00-7.
What is the molecular formula of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular formula of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid is C12H15N3O4S.
What is the molecular weight of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular weight of 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid is 297.07834 g/mol.
Where can I buy 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
You can request a quote for 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-ethyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.