N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide
TL;DR: N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide (CAS 313233-83-9) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide, BAS 00463954, N-(benzo[d]thiazol-2-yl)-2-methyl-3-nitrobenzamide, N-Benzothiazol-2-yl-2-methyl-3-nitro-benzamide, F0405-0674
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 313233-83-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | SIHVIDMIKNQGPY-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)-2-methyl-3-nitrobenzamide (CAS 313233-83-9), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide
Property Insights of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide
The XLogP value of 3.7 indicates that N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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)-2-methyl-3-nitrobenzamide?
The CAS number of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide is 313233-83-9.
What is the molecular formula of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide?
The molecular formula of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide is C15H11N3O3S.
What is the molecular weight of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide?
The molecular weight of N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide is 313.05 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide?
You can request a quote for N-(1,3-Benzothiazol-2-YL)-2-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-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-YL)-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.