BAS 04894585
TL;DR: BAS 04894585 (CAS 329909-90-2) 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)-4-methylpentanamide
Also Known As: BAS 04894585, N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanamide, N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide, N-(benzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylpentanamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-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 | 1021.19916 |
Chemical Identifiers
| CAS Number | 329909-90-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 04894585 (CAS 329909-90-2), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
Chemical Property Profile of BAS 04894585
Property Insights of BAS 04894585
The XLogP value of 3.9457 indicates that BAS 04894585 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 BAS 04894585. Following Lipinski's Rule of Five, BAS 04894585 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 BAS 04894585?
The CAS number of BAS 04894585 is 329909-90-2.
What is the molecular formula of BAS 04894585?
The molecular formula of BAS 04894585 is C21H19N3O3S.
What is the molecular weight of BAS 04894585?
The molecular weight of BAS 04894585 is 393.11 g/mol.
Where can I buy BAS 04894585?
You can request a quote for BAS 04894585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04894585?
Yes, KEHONG BIO provides custom synthesis services for BAS 04894585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.