N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide
TL;DR: N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide (CAS 77464-39-2) 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-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Also Known As: N-(2-Methyl-6-benzothiazolyl)-2-nitrobenzamide, N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.76522 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 888.625 |
Chemical Identifiers
| CAS Number | 77464-39-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide (CAS 77464-39-2), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide
Property Insights of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide
The XLogP value of 3.76522 indicates that N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-methyl-1,3-benzothiazol-6-yl)-2-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-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide?
The CAS number of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide is 77464-39-2.
What is the molecular formula of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide?
The molecular formula of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide is C15H11N3O3S.
What is the molecular weight of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide?
The molecular weight of N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide is 313.05 g/mol.
Where can I buy N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide?
You can request a quote for N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.