N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
TL;DR: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide (CAS 606922-97-8) is a chemical compound with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Also Known As: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide, (4,5-dimethoxy-2-nitrophenyl)-N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobenzothiazol -2-yl))carboxamide
| Molecular Formula | C18H19N3O6S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.4759 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.09946 |
| Heavy Atoms | 28 |
| Complexity | 981.9408 |
Chemical Identifiers
| CAS Number | 606922-97-8 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C |
Product Overview
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide (CAS 606922-97-8), with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Property Insights of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
The XLogP value of 3.4759 indicates that N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide has 1 hydrogen bond donor(s) and 8 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-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide?
The CAS number of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide is 606922-97-8.
What is the molecular formula of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide?
The molecular formula of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide is C18H19N3O6S.
What is the molecular weight of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide?
The molecular weight of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide is 405.10 g/mol.
Where can I buy N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide?
You can request a quote for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.