N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799791-86-9) is a chemical compound with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(3,4-dimethylphenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(3,4-dimethylphenyl)-7-morpholino-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C18H19N5O4 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 3.32804 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.1437 |
| Heavy Atoms | 27 |
| Complexity | 1010.3998 |
Chemical Identifiers
| CAS Number | 799791-86-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCOCC4)[N+](=O)[O-])C |
Product Overview
N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 799791-86-9), with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol. IUPAC: N-(3,4-dimethylphenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 3.32804 indicates that N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 799791-86-9.
What is the molecular formula of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is C18H19N5O4.
What is the molecular weight of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine is 369.14 g/mol.
Where can I buy N-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-7-(morpholin-4-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethylphenyl)-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.