![N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide structure](/static/products/1164/1164553-02-9.webp)
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
TL;DR: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide (CAS 1164553-02-9) is a chemical compound with molecular formula C18H17N3O6S2 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
Also Known As: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide, F1359-1148, N-[(2Z)-6-methanesulfonyl-3-(2-methoxyethyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide, (Z)-N-(3-(2-methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-2-nitrobenzamide
| Molecular Formula | C18H17N3O6S2 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 2.402 |
| Topological Polar Surface Area | 120.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.05588 |
| Heavy Atoms | 29 |
| Complexity | 1274.2336 |
Chemical Identifiers
| CAS Number | 1164553-02-9 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide (CAS 1164553-02-9), with molecular formula C18H17N3O6S2 and molecular weight 435.06 g/mol. IUPAC: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide.
Chemical Property Profile of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
Property Insights of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
The XLogP value of 2.402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide. The TPSA of 120.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide has 0 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-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide?
The CAS number of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide is 1164553-02-9.
What is the molecular formula of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide?
The molecular formula of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide is C18H17N3O6S2.
What is the molecular weight of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide?
The molecular weight of N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide is 435.06 g/mol.
Where can I buy N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide?
You can request a quote for N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-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-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.