N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
TL;DR: N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide (CAS 152586-99-7) is a chemical compound with molecular formula C15H10N4O6S and molecular weight 374.0321 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Also Known As: N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide, F0015-0109, N-(4-methoxybenzo[d]thiazol-2-yl)-3,5-dinitrobenzamide, N-(4-methoxybenzothiazol-2-yl)-3,5-dinitro-benzamide, N-(4-methoxy-1,3-benzothiazol-2-yl)3,5-dinitrobenzamide
Technical Specifications
| Molecular Formula | C15H10N4O6S |
| Molecular Weight | 374.0321 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0321 Da |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
| SMILES | COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VWAGZYLUMCIECQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Property Insights of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
The XLogP value of 3.2 indicates that N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide 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
What is the CAS number of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The CAS number of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is 152586-99-7.
What is the molecular formula of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The molecular formula of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is C15H10N4O6S.
What is the molecular weight of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The molecular weight of N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is 374.0321 g/mol.
Where can I buy N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
You can request a quote for N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.