4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole
TL;DR: 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole (CAS 117056-66-3) is a chemical compound with molecular formula C38H68N4O3 and molecular weight 628.5291 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dihexadecyl-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: Nbd dihexadecylamine, D 69 (fluorophore), 4-Benzofurazanamine, N,N-dihexadecyl-7-nitro-, 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole, D 69
Technical Specifications
| Molecular Formula | C38H68N4O3 |
| Molecular Weight | 628.5291 g/mol |
| XLogP | 16.6 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 31 |
| Exact Mass | 628.5291 Da |
| Heavy Atoms | 45 |
| Complexity | 644.0 |
| SMILES | CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | JVTZCQBNIYPZGI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole
Property Insights of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole
The XLogP value of 16.6 indicates that 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole. Following Lipinski's Rule of Five, 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The CAS number of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole is 117056-66-3.
What is the molecular formula of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The molecular formula of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole is C38H68N4O3.
What is the molecular weight of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
The molecular weight of 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole is 628.5291 g/mol.
Where can I buy 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
You can request a quote for 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole?
Yes, CoreyChem provides custom synthesis services for 4-(N,N-Dihexadecyl)amino-7-nitrobenz-2-oxa-1,3-diazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.