N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
TL;DR: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide (CAS 391217-99-5) is a chemical compound with molecular formula C16H12N4O4S and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Also Known As: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide, N-(6-acetamidobenzo[d]thiazol-2-yl)-2-nitrobenzamide, F0014-0216
| Molecular Formula | C16H12N4O4S |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 3.4152 |
| Topological Polar Surface Area | 114.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.05792 |
| Heavy Atoms | 25 |
| Complexity | 998.7183 |
Chemical Identifiers
| CAS Number | 391217-99-5 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide (CAS 391217-99-5), with molecular formula C16H12N4O4S and molecular weight 356.06 g/mol. IUPAC: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
Property Insights of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
The XLogP value of 3.4152 indicates that N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide has 2 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-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The CAS number of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide is 391217-99-5.
What is the molecular formula of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The molecular formula of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide is C16H12N4O4S.
What is the molecular weight of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The molecular weight of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide is 356.06 g/mol.
Where can I buy N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
You can request a quote for N-(6-acetamido-1,3-benzothiazol-2-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-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.