F0653-0487
TL;DR: F0653-0487 (CAS 852145-65-4) is a chemical compound with molecular formula C26H28N6O4S and molecular weight 520.19 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-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0653-0487, ethyl 4-(2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate, ethyl 4-(2-((5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-[2-[[5-indol-3-ylidene-4-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C26H28N6O4S |
|---|---|
| Molecular Weight | 520.19 g/mol |
| LogP | 3.817 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1893 |
| Heavy Atoms | 37 |
| Complexity | 1391.8448 |
Chemical Identifiers
| CAS Number | 852145-65-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0487 (CAS 852145-65-4), with molecular formula C26H28N6O4S and molecular weight 520.19 g/mol. IUPAC: ethyl 4-[2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0653-0487
Property Insights of F0653-0487
The XLogP value of 3.817 indicates that F0653-0487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0487. Following Lipinski's Rule of Five, F0653-0487 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0487?
The CAS number of F0653-0487 is 852145-65-4.
What is the molecular formula of F0653-0487?
The molecular formula of F0653-0487 is C26H28N6O4S.
What is the molecular weight of F0653-0487?
The molecular weight of F0653-0487 is 520.19 g/mol.
Where can I buy F0653-0487?
You can request a quote for F0653-0487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0487?
Yes, KEHONG BIO provides custom synthesis services for F0653-0487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.