N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
TL;DR: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide (CAS 313404-44-3) 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-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
Also Known As: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide, (Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-nitrobenzamide, N-[(2Z)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 2.8891 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 955.8211 |
Chemical Identifiers
| CAS Number | 313404-44-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide (CAS 313404-44-3), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide.
Chemical Property Profile of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
Property Insights of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
The XLogP value of 2.8891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide has 0 hydrogen bond donor(s) and 4 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-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The CAS number of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is 313404-44-3.
What is the molecular formula of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The molecular formula of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is C15H11N3O3S.
What is the molecular weight of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The molecular weight of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is 313.05 g/mol.
Where can I buy N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
You can request a quote for N-(3-methyl-1,3-benzothiazol-2-ylidene)-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-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.