N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 152587-00-3) is a chemical compound with molecular formula C15H11N3O4S and molecular weight 329.04703 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)-4-nitrobenzamide
Also Known As: BAS 02374263, N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide, N-(4-Methoxybenzo[d]thiazol-2-yl)-4-nitrobenzamide, F0298-0034, N-(4-Methoxy-benzothiazol-2-yl)-4-nitro-benzamide
Technical Specifications
| Molecular Formula | C15H11N3O4S |
| Molecular Weight | 329.04703 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.04703 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VAGYXDMVVOTCTM-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 3.3 indicates that N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide 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 N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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)-4-nitrobenzamide?
The CAS number of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 152587-00-3.
What is the molecular formula of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C15H11N3O4S.
What is the molecular weight of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 329.04703 g/mol.
Where can I buy N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide 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)-4-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(4-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.