1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
TL;DR: 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine (CAS 143112-52-1) is a chemical compound with molecular formula C10H11N5O3 and molecular weight 249.08618 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)pyrrolidin-3-amine
Also Known As: (R)-(-)-NBD-APy, (S)-(+)-NBD-APy, J1.771.050H, (R)-1-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)pyrrolidin-3-amine, 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
Technical Specifications
| Molecular Formula | C10H11N5O3 |
| Molecular Weight | 249.08618 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.08618 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | QSDDQXROWUJAJX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
Property Insights of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine. Following Lipinski's Rule of Five, 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine has 1 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)pyrrolidin-3-amine?
The CAS number of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine is 143112-52-1.
What is the molecular formula of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine?
The molecular formula of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine is C10H11N5O3.
What is the molecular weight of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine?
The molecular weight of 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine is 249.08618 g/mol.
Where can I buy 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine?
You can request a quote for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine 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)pyrrolidin-3-amine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.