F0653-0681
TL;DR: F0653-0681 (CAS 852167-52-3) is a chemical compound with molecular formula C27H30N6O4S and molecular weight 534.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0653-0681, ethyl 4-(2-((4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-(2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-[2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C27H30N6O4S |
|---|---|
| Molecular Weight | 534.20 g/mol |
| LogP | 4.2071 |
| Topological Polar Surface Area | 105.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.2049 |
| Heavy Atoms | 38 |
| Complexity | 1408.7241 |
Chemical Identifiers
| CAS Number | 852167-52-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C(=O)OCC)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0681 (CAS 852167-52-3), with molecular formula C27H30N6O4S and molecular weight 534.20 g/mol. IUPAC: ethyl 4-[2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0653-0681
Property Insights of F0653-0681
The XLogP value of 4.2071 indicates that F0653-0681 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 F0653-0681. Following Lipinski's Rule of Five, F0653-0681 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 F0653-0681?
The CAS number of F0653-0681 is 852167-52-3.
What is the molecular formula of F0653-0681?
The molecular formula of F0653-0681 is C27H30N6O4S.
What is the molecular weight of F0653-0681?
The molecular weight of F0653-0681 is 534.20 g/mol.
Where can I buy F0653-0681?
You can request a quote for F0653-0681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0681?
Yes, KEHONG BIO provides custom synthesis services for F0653-0681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.