F0653-0017
TL;DR: F0653-0017 (CAS 852142-08-6) is a chemical compound with molecular formula C25H27N5OS and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: F0653-0017, 1-(4-benzylpiperidin-1-yl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-benzylpiperidin-1-yl)ethanone, 1-(4-benzyl-1-piperidyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-benzylpiperidin-1-yl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C25H27N5OS |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 4.5368 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.19363 |
| Heavy Atoms | 32 |
| Complexity | 1207.5431 |
Chemical Identifiers
| CAS Number | 852142-08-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0017 (CAS 852142-08-6), with molecular formula C25H27N5OS and molecular weight 445.19 g/mol. IUPAC: 1-(4-benzylpiperidin-1-yl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of F0653-0017
Property Insights of F0653-0017
The XLogP value of 4.5368 indicates that F0653-0017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0017. Following Lipinski's Rule of Five, F0653-0017 has 1 hydrogen bond donor(s) and 4 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 F0653-0017?
The CAS number of F0653-0017 is 852142-08-6.
What is the molecular formula of F0653-0017?
The molecular formula of F0653-0017 is C25H27N5OS.
What is the molecular weight of F0653-0017?
The molecular weight of F0653-0017 is 445.19 g/mol.
Where can I buy F0653-0017?
You can request a quote for F0653-0017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0017?
Yes, KEHONG BIO provides custom synthesis services for F0653-0017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.