N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 912759-94-5) 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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide, N-(4,7-dimethoxybenzo[d]thiazol-2-yl)-4-nitrobenzamide, F1813-0087
| 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 | 911.30865 |
Chemical Identifiers
| CAS Number | 912759-94-5 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 912759-94-5), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 3.474 indicates that N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The CAS number of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 912759-94-5.
What is the molecular formula of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C16H13N3O5S.
What is the molecular weight of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 359.06 g/mol.
Where can I buy N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(4,7-dimethoxy-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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.