12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate
TL;DR: 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate (CAS 117056-67-4) is a chemical compound with molecular formula C25H40N4O5 and molecular weight 476.29987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
Also Known As: Nbd-stearate, 12-Nbds, NBD-stearic acid, 12-NBD Stearate, 12-NBD Stearic acid
Technical Specifications
| Molecular Formula | C25H40N4O5 |
| Molecular Weight | 476.29987 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 476.29987 Da |
| Heavy Atoms | 34 |
| Complexity | 588.0 |
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-] |
| InChIKey | SAAVELCIPHKGJE-UHFFFAOYSA-N |
Chemical Property Profile of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate
Property Insights of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate
The XLogP value of 7.9 indicates that 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate. Following Lipinski's Rule of Five, 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate?
The CAS number of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate is 117056-67-4.
What is the molecular formula of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate?
The molecular formula of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate is C25H40N4O5.
What is the molecular weight of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate?
The molecular weight of 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate is 476.29987 g/mol.
Where can I buy 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate?
You can request a quote for 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate?
Yes, CoreyChem provides custom synthesis services for 12-N-Methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.