N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
TL;DR: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide (CAS 606922-91-2) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 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-methoxy-3-nitrobenzamide
Also Known As: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide, BENZAMIDE, 4-METHOXY-3-NITRO-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-, benzamide,4-methoxy-3-nitro-N-(4,5,6,7-tetrahydro-5,5-dimethyl-7-oxo-2-benzothiazolyl)-, Benzamide, 4-methoxy-3-nitro-N-(4,5,6,7-tetrahydro-5,5-dimethyl-7-oxo-2-benzothiazolyl)- (9CI)
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 3.4673 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 919.1173 |
Chemical Identifiers
| CAS Number | 606922-91-2 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C |
Product Overview
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide (CAS 606922-91-2), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Property Insights of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
The XLogP value of 3.4673 indicates that N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-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-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The CAS number of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is 606922-91-2.
What is the molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is C17H17N3O5S.
What is the molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
The molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide is 375.09 g/mol.
Where can I buy N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
You can request a quote for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-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-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.