3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid
TL;DR: 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid (CAS 790681-55-9) is a chemical compound with molecular formula C18H25N3O4S and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid
Also Known As: 3-[1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid, 3-[1-Butyl-5-(pyrrolidine-1-sulfonyl)-1H-benzoimidazol-2-yl]-propionic acid, 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid, 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzoimidazol-2-yl)propanoic Acid, 3-(3-butyl-6-pyrrolidin-1-ylsulfonyl-1H-benzimidazol-3-ium-2-yl)propanoate
| Molecular Formula | C18H25N3O4S |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 2.6381 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.1566 |
| Heavy Atoms | 26 |
| Complexity | 898.5421 |
Chemical Identifiers
| CAS Number | 790681-55-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)O |
Product Overview
3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid (CAS 790681-55-9), with molecular formula C18H25N3O4S and molecular weight 379.16 g/mol. IUPAC: 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid.
Chemical Property Profile of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid
Property Insights of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid
The XLogP value of 2.6381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-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-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-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-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid?
The CAS number of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid is 790681-55-9.
What is the molecular formula of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular formula of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid is C18H25N3O4S.
What is the molecular weight of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid?
The molecular weight of 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid is 379.16 g/mol.
Where can I buy 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid?
You can request a quote for 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-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-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.