N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide
TL;DR: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide (CAS 663188-41-8) is a chemical compound with molecular formula C18H20N2O2S2 and molecular weight 360.10 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)-2-ethylsulfanylbenzamide
Also Known As: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide, F2646-0017, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide, N-(5,5-dimethyl-7-oxo(4,5,6-trihydrobenzothiazol-2-yl))(2-ethylthiophenyl)carb oxamide, N-(5,5-dimethyl-7-oxo-1-thia-3-aza-4,5,6,7-tetrahydro-2-indenyl)o-(ethylthio)benzamide
| Molecular Formula | C18H20N2O2S2 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.6625 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09662 |
| Heavy Atoms | 24 |
| Complexity | 796.06647 |
Chemical Identifiers
| CAS Number | 663188-41-8 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C |
Product Overview
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide (CAS 663188-41-8), with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.
Chemical Property Profile of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide
Property Insights of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide
The XLogP value of 4.6625 indicates that N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide has 1 hydrogen bond donor(s) and 5 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)-2-(ethylsulfanyl)benzamide?
The CAS number of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide is 663188-41-8.
What is the molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide?
The molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide is C18H20N2O2S2.
What is the molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide?
The molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide is 360.10 g/mol.
Where can I buy N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide?
You can request a quote for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide 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)-2-(ethylsulfanyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(ethylsulfanyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.