N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
TL;DR: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 313553-71-8) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Also Known As: BAS 00415055, N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide, N-(6-Methoxy-benzothiazol-2-yl)-4-methyl-3-nitro-benzamide, n-(6-methoxybenzo[d]thiazol-2-yl)-4-methyl-3-nitrobenzamide, N-(6-methoxybenzothiazol-2-yl)(4-methyl-3-nitrophenyl)carboxamide
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 313553-71-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)[N+](=O)[O-] |
| InChIKey | OKQPYQHEOYHYGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 313553-71-8), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Property Insights of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
The XLogP value of 3.7 indicates that N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-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-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-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-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide?
The CAS number of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide is 313553-71-8.
What is the molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular formula of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide is C16H13N3O4S.
What is the molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular weight of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide is 343.06 g/mol.
Where can I buy N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide?
You can request a quote for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-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-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.