N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 912759-86-5) is a chemical compound with molecular formula C15H10ClN3O3S and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide, N-(7-chloro-4-methylbenzo[d]thiazol-2-yl)-4-nitrobenzamide, F1813-0084
| Molecular Formula | C15H10ClN3O3S |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 4.41862 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.01315 |
| Heavy Atoms | 23 |
| Complexity | 882.6118 |
Chemical Identifiers
| CAS Number | 912759-86-5 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 912759-86-5), with molecular formula C15H10ClN3O3S and molecular weight 347.01 g/mol. IUPAC: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 4.41862 indicates that N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-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-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-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-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The CAS number of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 912759-86-5.
What is the molecular formula of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C15H10ClN3O3S.
What is the molecular weight of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 347.01 g/mol.
Where can I buy N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.