2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide
TL;DR: 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide (CAS 895442-82-7) is a chemical compound with molecular formula C16H12ClN3O5S and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide
Also Known As: 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide, 2-chloro-N-(5,6-dimethoxybenzo[d]thiazol-2-yl)-5-nitrobenzamide, F2525-0120
| Molecular Formula | C16H12ClN3O5S |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 4.1274 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.01862 |
| Heavy Atoms | 26 |
| Complexity | 979.533 |
Chemical Identifiers
| CAS Number | 895442-82-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC |
Product Overview
2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide (CAS 895442-82-7), with molecular formula C16H12ClN3O5S and molecular weight 393.02 g/mol. IUPAC: 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide
Property Insights of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide
The XLogP value of 4.1274 indicates that 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide has 1 hydrogen bond donor(s) and 7 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 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The CAS number of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide is 895442-82-7.
What is the molecular formula of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The molecular formula of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide is C16H12ClN3O5S.
What is the molecular weight of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The molecular weight of 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide is 393.02 g/mol.
Where can I buy 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
You can request a quote for 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.