7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
TL;DR: 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (CAS 143112-49-6) is a chemical compound with molecular formula C12H17N5O3S and molecular weight 311.10522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Also Known As: (S)-(+)-DBD-APy, (R)-(-)-DBD-Apy, 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide, N,N-Dimethyl-7-(3-aminopyrrolizino)-2,1,3-benzoxadiazole-4-sulfonamide, (R)-(-)-4-(N,N-Dimethylaminosulfonyl)-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
Technical Specifications
| Molecular Formula | C12H17N5O3S |
| Molecular Weight | 311.10522 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10522 Da |
| Heavy Atoms | 21 |
| Complexity | 480.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N |
| InChIKey | SZJGHUNJZRXXCA-UHFFFAOYSA-N |
Chemical Property Profile of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
Property Insights of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
The XLogP value of -0.3 indicates that 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide. Following Lipinski's Rule of Five, 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The CAS number of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is 143112-49-6.
What is the molecular formula of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The molecular formula of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is C12H17N5O3S.
What is the molecular weight of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The molecular weight of 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is 311.10522 g/mol.
Where can I buy 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
You can request a quote for 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
Yes, CoreyChem provides custom synthesis services for 7-(3-aminopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.