N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide (CAS 330215-95-7) is a chemical compound with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide, n-(benzo[d]thiazol-2-yl)-4-methoxy-3-nitrobenzamide, N-benzothiazol-2-yl(4-methoxy-3-nitrophenyl)carboxamide, N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-4-methoxy-3-nitrobenzamide
| Molecular Formula | C15H11N3O4S |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.04703 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 330215-95-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-] |
| InChIKey | IPCROCFOKOCYMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide (CAS 330215-95-7), with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
The XLogP value of 3.3 indicates that N-(1,3-benzothiazol-2-yl)-4-methoxy-3-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-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-methoxy-3-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
Frequently Asked Questions
What is the CAS number of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is 330215-95-7.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is C15H11N3O4S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is 329.05 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.