F0653-0053
TL;DR: F0653-0053 (CAS 852142-99-5) 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0053, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.4654 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1232.5929 |
Chemical Identifiers
| CAS Number | 852142-99-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0053 (CAS 852142-99-5), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0053
Property Insights of F0653-0053
The XLogP value of 3.4654 indicates that F0653-0053 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 F0653-0053. Following Lipinski's Rule of Five, F0653-0053 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 F0653-0053?
The CAS number of F0653-0053 is 852142-99-5.
What is the molecular formula of F0653-0053?
The molecular formula of F0653-0053 is C21H19N5O3S.
What is the molecular weight of F0653-0053?
The molecular weight of F0653-0053 is 421.12 g/mol.
Where can I buy F0653-0053?
You can request a quote for F0653-0053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0053?
Yes, KEHONG BIO provides custom synthesis services for F0653-0053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.