Opera_ID_605
TL;DR: Opera_ID_605 (CAS 496777-26-5) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-ethylpiperazine-1-carbothioamide
Also Known As: 4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-ethylpiperazine-1-carbothioamide, 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-ethylpiperazine-1-carbothioamide, 4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-N-ethylpiperazine-1-carbothioamide, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-ethyl-1-piperazinecarbothioamide, 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-ethylpiperazine-1-carbothioamide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 1.9478 |
| Topological Polar Surface Area | 55.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 886.3975 |
Chemical Identifiers
| CAS Number | 496777-26-5 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
Opera_ID_605 (CAS 496777-26-5), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-ethylpiperazine-1-carbothioamide.
Chemical Property Profile of Opera_ID_605
Property Insights of Opera_ID_605
The XLogP value of 1.9478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_605. With a topological polar surface area (TPSA) of 55.89 Ų, Opera_ID_605 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Opera_ID_605 has 1 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 Opera_ID_605?
The CAS number of Opera_ID_605 is 496777-26-5.
What is the molecular formula of Opera_ID_605?
The molecular formula of Opera_ID_605 is C21H24N4O2S.
What is the molecular weight of Opera_ID_605?
The molecular weight of Opera_ID_605 is 396.16 g/mol.
Where can I buy Opera_ID_605?
You can request a quote for Opera_ID_605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_605?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.