![N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide structure](/static/products/898/898422-85-0.png)
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide
TL;DR: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide (CAS 898422-85-0) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide
Also Known As: F2646-0512, 2-(ethanesulfonyl)-N-{4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide, N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(ethylsulfonyl)benzamide, N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide, N-{5-thia-3-azatricyclo[7.4.0.0(2),]trideca-1(9),2(6),3,10,12-pentaen-4-yl}o-(ethylsulfonyl)benzamide
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 3.9546 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 1133.6335 |
Chemical Identifiers
| CAS Number | 898422-85-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43 |
Product Overview
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide (CAS 898422-85-0), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide.
Chemical Property Profile of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide
Property Insights of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide
The XLogP value of 3.9546 indicates that N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide 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-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The CAS number of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide is 898422-85-0.
What is the molecular formula of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The molecular formula of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide is C20H18N2O3S2.
What is the molecular weight of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
The molecular weight of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide is 398.08 g/mol.
Where can I buy N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
You can request a quote for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-ethylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.