7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
TL;DR: 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole (CAS 163927-30-8) is a chemical compound with molecular formula C11H9N5O3S and molecular weight 291.0426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3-isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Also Known As: (R)-(-)-NBD-Py-NCS, (S)-(+)-NBD-Py-NCS, 4-(3-isothiocyanatopyrrolidin-1-yl)-7-nitro-2,1,3-benzoxadiazole, 7-(3-isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole, 4-(3-Isothiocyanatopyrrolizino)-7-nitro-2,1,3-benzoxadiazole
Technical Specifications
| Molecular Formula | C11H9N5O3S |
| Molecular Weight | 291.0426 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0426 Da |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
| SMILES | C1CN(CC1N=C=S)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | CHKCHHTYBXOUKH-UHFFFAOYSA-N |
Chemical Property Profile of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
Property Insights of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole has 0 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-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 163927-30-8.
What is the molecular formula of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is C11H9N5O3S.
What is the molecular weight of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole is 291.0426 g/mol.
Where can I buy 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole?
Yes, CoreyChem provides custom synthesis services for 7-(3-Isothiocyanatopyrrolidin-1-yl)-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.