N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
TL;DR: N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide (CAS 200726-43-8) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 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-tert-butylbenzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-tert-butylbenzamide, N-(Benzo[d]thiazol-2-yl)-4-(tert-butyl)benzamide, BAS 00855211, N-Benzothiazol-2-yl-4-tert-butyl-benzamide, N-benzothiazol-2-yl[4-(tert-butyl)phenyl]carboxamide
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 200726-43-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2 |
| InChIKey | PQEMVWNERIBJJT-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-tert-butylbenzamide (CAS 200726-43-8), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-tert-butylbenzamide.
Chemical Property Profile of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
Property Insights of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
The XLogP value of 5.2 indicates that N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide 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-tert-butylbenzamide. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide?
The CAS number of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide is 200726-43-8.
What is the molecular formula of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide?
The molecular formula of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide is C18H18N2OS.
What is the molecular weight of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide?
The molecular weight of N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide is 310.11 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide?
You can request a quote for N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide 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-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.