F0653-0176
TL;DR: F0653-0176 (CAS 852143-90-9) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0176, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-[[(5Z)-4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.9058 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1232.5929 |
Chemical Identifiers
| CAS Number | 852143-90-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0176 (CAS 852143-90-9), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0176
Property Insights of F0653-0176
The XLogP value of 3.9058 indicates that F0653-0176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0176. Following Lipinski's Rule of Five, F0653-0176 has 2 hydrogen bond donor(s) and 6 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 F0653-0176?
The CAS number of F0653-0176 is 852143-90-9.
What is the molecular formula of F0653-0176?
The molecular formula of F0653-0176 is C21H19N5O3S.
What is the molecular weight of F0653-0176?
The molecular weight of F0653-0176 is 421.12 g/mol.
Where can I buy F0653-0176?
You can request a quote for F0653-0176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0176?
Yes, KEHONG BIO provides custom synthesis services for F0653-0176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.