ChemDiv1_022454
TL;DR: ChemDiv1_022454 (CAS 391866-92-5) is a chemical compound with molecular formula C25H19N3O3S2 and molecular weight 473.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
Also Known As: ChemDiv1_022454, VU0091189-2, F0463-0049, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
| Molecular Formula | C25H19N3O3S2 |
|---|---|
| Molecular Weight | 473.09 g/mol |
| LogP | 5.1383 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.0868 |
| Heavy Atoms | 33 |
| Complexity | 1384.3854 |
Chemical Identifiers
| CAS Number | 391866-92-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=NC6=CC=CC=C6S5 |
Product Overview
ChemDiv1_022454 (CAS 391866-92-5), with molecular formula C25H19N3O3S2 and molecular weight 473.09 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_022454
Property Insights of ChemDiv1_022454
The XLogP value of 5.1383 indicates that ChemDiv1_022454 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 ChemDiv1_022454. Following Lipinski's Rule of Five, ChemDiv1_022454 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022454?
The CAS number of ChemDiv1_022454 is 391866-92-5.
What is the molecular formula of ChemDiv1_022454?
The molecular formula of ChemDiv1_022454 is C25H19N3O3S2.
What is the molecular weight of ChemDiv1_022454?
The molecular weight of ChemDiv1_022454 is 473.09 g/mol.
Where can I buy ChemDiv1_022454?
You can request a quote for ChemDiv1_022454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.