1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
TL;DR: 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride (CAS 159717-69-8) is a chemical compound with molecular formula C11H9ClN4O4 and molecular weight 296.03122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
Also Known As: (S)-(-)-NBD-Pro-COCl, N-(7-Nitro-4-benzofurazanyl)-D-prolyl chloride, N-(7-Nitro-4-benzofurazanyl)-L-prolyl chloride, 4-(2-Chloroformylpyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole, 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
Technical Specifications
| Molecular Formula | C11H9ClN4O4 |
| Molecular Weight | 296.03122 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.03122 Da |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
| SMILES | C1CC(N(C1)C2=CC=C(C3=NON=C23)[N+](=O)[O-])C(=O)Cl |
| InChIKey | XBQYXPYABMCADZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
Property Insights of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride. Following Lipinski's Rule of Five, 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride?
The CAS number of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride is 159717-69-8.
What is the molecular formula of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride?
The molecular formula of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride is C11H9ClN4O4.
What is the molecular weight of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride?
The molecular weight of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride is 296.03122 g/mol.
Where can I buy 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride?
You can request a quote for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.