4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide
TL;DR: 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide (CAS 294653-97-7) 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.
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide
Also Known As: AE-848/07789023, 4-chloro-3-nitro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide, 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide, 4-chloranyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide, 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-benzamide
| 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 | 938.8618 |
Chemical Identifiers
| CAS Number | 294653-97-7 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide (CAS 294653-97-7), with molecular formula C15H10ClN3O3S and molecular weight 347.01 g/mol. IUPAC: 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide
Property Insights of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide
The XLogP value of 4.41862 indicates that 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-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 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-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 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide?
The CAS number of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide is 294653-97-7.
What is the molecular formula of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide is C15H10ClN3O3S.
What is the molecular weight of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide is 347.01 g/mol.
Where can I buy 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.