N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide (CAS 200726-47-2) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide, n-(benzo[d]thiazol-2-yl)-4-ethylbenzamide, AB00724540-01, AO-548/40063490
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 200726-47-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | KDKVCQZANDCNPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide (CAS 200726-47-2), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide
The XLogP value of 4.3 indicates that N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide has 1 hydrogen bond donor(s) and 3 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-(1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide is 200726-47-2.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide is C16H14N2OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide is 282.08 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-ethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.