N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine
TL;DR: N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 488803-63-0) 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-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: N-benzyl-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine, N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine, N-benzyl-6-morpholino-7-nitrobenzo[c][1,2,5]oxadiazol-4-amine
| 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 | 488803-63-0 |
|---|---|
| SMILES | C1COCCN1C2=C(C3=NON=C3C(=C2)NCC4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine (CAS 488803-63-0), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: N-benzyl-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine
Property Insights of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine
The XLogP value of 2.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine. Following Lipinski's Rule of Five, N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-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-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The CAS number of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 488803-63-0.
What is the molecular formula of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular formula of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine is C17H17N5O4.
What is the molecular weight of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
The molecular weight of N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine is 355.13 g/mol.
Where can I buy N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
You can request a quote for N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-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-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-6-(morpholin-4-yl)-7-nitro-2,1,3-benzoxadiazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.