N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 333433-92-4) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: ChemDiv1_008613, BAS 01237135, N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-benzyl-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine, (7-morpholin-4-yl-4-nitrobenzo[c]1,2,5-oxadiazol-5-yl)benzylamine
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 2.5797 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 921.55286 |
Chemical Identifiers
| CAS Number | 333433-92-4 |
|---|---|
| SMILES | C1COCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4 |
Product Overview
N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 333433-92-4), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: N-benzyl-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 2.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine 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
Frequently Asked Questions
What is the CAS number of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 333433-92-4.
What is the molecular formula of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C17H17N5O4.
What is the molecular weight of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 355.13 g/mol.
Where can I buy N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.