N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 301858-92-4) 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-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide, 4-Methoxy-2-(3-nitrobenzamido)benzothiazole, N-(4-methoxybenzo[d]thiazol-2-yl)-3-nitrobenzamide, F0012-0570, N-(4-Methoxy-1,3-benzothiazol-2-yl)-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 | 301858-92-4 |
|---|---|
| SMILES | COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | PYIXUZKYHPHSRC-UHFFFAOYSA-N |
Product Overview
N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 301858-92-4), with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol. IUPAC: N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 3.3 indicates that N-(4-Methoxy-1,3-benzothiazol-2-yl)-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-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-Methoxy-1,3-benzothiazol-2-yl)-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-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 301858-92-4.
What is the molecular formula of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C15H11N3O4S.
What is the molecular weight of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 329.05 g/mol.
Where can I buy N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(4-Methoxy-1,3-benzothiazol-2-yl)-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-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.