F0653-0045
TL;DR: F0653-0045 (CAS 852142-93-9) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: F0653-0045, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide, 2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.7028 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1134.546 |
Chemical Identifiers
| CAS Number | 852142-93-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0045 (CAS 852142-93-9), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of F0653-0045
Property Insights of F0653-0045
The XLogP value of 3.7028 indicates that F0653-0045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0045. Following Lipinski's Rule of Five, F0653-0045 has 2 hydrogen bond donor(s) and 5 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 F0653-0045?
The CAS number of F0653-0045 is 852142-93-9.
What is the molecular formula of F0653-0045?
The molecular formula of F0653-0045 is C20H19N5O2S.
What is the molecular weight of F0653-0045?
The molecular weight of F0653-0045 is 393.13 g/mol.
Where can I buy F0653-0045?
You can request a quote for F0653-0045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0045?
Yes, KEHONG BIO provides custom synthesis services for F0653-0045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.