N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (CAS 451491-66-0) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide, N-(benzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-3-methylpentanamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylpentanamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.9457 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1023.19916 |
Chemical Identifiers
| CAS Number | 451491-66-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide (CAS 451491-66-0), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
The XLogP value of 3.9457 indicates that N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide 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-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is 451491-66-0.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is C21H19N3O3S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide is 393.11 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide 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)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.