F0653-0018
TL;DR: F0653-0018 (CAS 852142-09-7) is a chemical compound with molecular formula C20H24N6O3S and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0653-0018, ethyl 4-(2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-(2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C20H24N6O3S |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 2.3562 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.16306 |
| Heavy Atoms | 30 |
| Complexity | 1053.9299 |
Chemical Identifiers
| CAS Number | 852142-09-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0018 (CAS 852142-09-7), with molecular formula C20H24N6O3S and molecular weight 428.16 g/mol. IUPAC: ethyl 4-[2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0653-0018
Property Insights of F0653-0018
The XLogP value of 2.3562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0653-0018. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0018. Following Lipinski's Rule of Five, F0653-0018 has 1 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 F0653-0018?
The CAS number of F0653-0018 is 852142-09-7.
What is the molecular formula of F0653-0018?
The molecular formula of F0653-0018 is C20H24N6O3S.
What is the molecular weight of F0653-0018?
The molecular weight of F0653-0018 is 428.16 g/mol.
Where can I buy F0653-0018?
You can request a quote for F0653-0018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0018?
Yes, KEHONG BIO provides custom synthesis services for F0653-0018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.