N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide (CAS 825596-98-3) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide
Also Known As: N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide, N-[3-(N-benzothiazol-2-ylcarbamoyl)phenyl]-2-ethylbutanamide, N-(1,3-BENZOTHIAZOL-2-YL)-3-(2-ETHYLBUTANAMIDO)BENZAMIDE, N-(1,3-benzothiazol-2-yl)-3-[(2-ethylbutanoyl)amino]benzamide
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 4.9233 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 898.4608 |
Chemical Identifiers
| CAS Number | 825596-98-3 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2 |
Product Overview
N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide (CAS 825596-98-3), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide
The XLogP value of 4.9233 indicates that N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide has 2 hydrogen bond donor(s) and 4 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)-3-(2-ethylbutanoylamino)benzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide is 825596-98-3.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide is C20H21N3O2S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide is 367.14 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide 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)-3-(2-ethylbutanoylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-3-(2-ethylbutanoylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.