N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 895435-41-3) is a chemical compound with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide, N-(5,6-dimethoxybenzo[d]thiazol-2-yl)-3-nitrobenzamide, F2525-0009
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 3.474 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 928.55865 |
Chemical Identifiers
| CAS Number | 895435-41-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 895435-41-3), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 3.474 indicates that N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-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 N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-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 N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 895435-41-3.
What is the molecular formula of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C16H13N3O5S.
What is the molecular weight of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 359.06 g/mol.
Where can I buy N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(5,6-dimethoxy-1,3-benzothiazol-2-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 N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.