F0653-0450
TL;DR: F0653-0450 (CAS 852145-52-9) is a chemical compound with molecular formula C22H18N6O2S2 and molecular weight 462.09 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-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: F0653-0450, 2-((5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide, 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C22H18N6O2S2 |
|---|---|
| Molecular Weight | 462.09 g/mol |
| LogP | 4.6115 |
| Topological Polar Surface Area | 97.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.09326 |
| Heavy Atoms | 32 |
| Complexity | 1376.3767 |
Chemical Identifiers
| CAS Number | 852145-52-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CNC5=CC=CC=C54 |
Product Overview
F0653-0450 (CAS 852145-52-9), with molecular formula C22H18N6O2S2 and molecular weight 462.09 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F0653-0450
Property Insights of F0653-0450
The XLogP value of 4.6115 indicates that F0653-0450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.72 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0450. Following Lipinski's Rule of Five, F0653-0450 has 2 hydrogen bond donor(s) and 7 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 F0653-0450?
The CAS number of F0653-0450 is 852145-52-9.
What is the molecular formula of F0653-0450?
The molecular formula of F0653-0450 is C22H18N6O2S2.
What is the molecular weight of F0653-0450?
The molecular weight of F0653-0450 is 462.09 g/mol.
Where can I buy F0653-0450?
You can request a quote for F0653-0450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0450?
Yes, KEHONG BIO provides custom synthesis services for F0653-0450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.