N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
TL;DR: N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide (CAS 896299-54-0) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
Also Known As: F2557-0265, N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide, (E)-N-(4-ethoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-(methylsulfonyl)benzamide, N-[(2E)-4-ethoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-methanesulfonylbenzamide
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.7831 |
| Topological Polar Surface Area | 77.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 1157.393 |
Chemical Identifiers
| CAS Number | 896299-54-0 |
|---|---|
| SMILES | CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)N2C |
Product Overview
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide (CAS 896299-54-0), with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol. IUPAC: N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide.
Chemical Property Profile of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
Property Insights of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide
The XLogP value of 2.7831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide. The TPSA of 77.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide has 0 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-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide?
The CAS number of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide is 896299-54-0.
What is the molecular formula of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide?
The molecular formula of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide is C18H18N2O4S2.
What is the molecular weight of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide?
The molecular weight of N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide is 390.07 g/mol.
Where can I buy N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide?
You can request a quote for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.