F0653-0778
TL;DR: F0653-0778 (CAS 852167-63-6) is a chemical compound with molecular formula C25H25FN6O3S and molecular weight 508.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0653-0778, ethyl 4-(2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-(2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-[2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C25H25FN6O3S |
|---|---|
| Molecular Weight | 508.17 g/mol |
| LogP | 3.9475 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.16928 |
| Heavy Atoms | 36 |
| Complexity | 1378.2211 |
Chemical Identifiers
| CAS Number | 852167-63-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0778 (CAS 852167-63-6), with molecular formula C25H25FN6O3S and molecular weight 508.17 g/mol. IUPAC: ethyl 4-[2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0653-0778
Property Insights of F0653-0778
The XLogP value of 3.9475 indicates that F0653-0778 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0778. Following Lipinski's Rule of Five, F0653-0778 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0778?
The CAS number of F0653-0778 is 852167-63-6.
What is the molecular formula of F0653-0778?
The molecular formula of F0653-0778 is C25H25FN6O3S.
What is the molecular weight of F0653-0778?
The molecular weight of F0653-0778 is 508.17 g/mol.
Where can I buy F0653-0778?
You can request a quote for F0653-0778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0778?
Yes, KEHONG BIO provides custom synthesis services for F0653-0778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.