F0653-0747
TL;DR: F0653-0747 (CAS 730991-82-9) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0747, methyl 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.0794 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1134.5073 |
Chemical Identifiers
| CAS Number | 730991-82-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0747 (CAS 730991-82-9), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: methyl 2-[[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0653-0747
Property Insights of F0653-0747
The XLogP value of 4.0794 indicates that F0653-0747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0747. Following Lipinski's Rule of Five, F0653-0747 has 1 hydrogen bond donor(s) and 6 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 F0653-0747?
The CAS number of F0653-0747 is 730991-82-9.
What is the molecular formula of F0653-0747?
The molecular formula of F0653-0747 is C21H20N4O3S.
What is the molecular weight of F0653-0747?
The molecular weight of F0653-0747 is 408.13 g/mol.
Where can I buy F0653-0747?
You can request a quote for F0653-0747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0747?
Yes, KEHONG BIO provides custom synthesis services for F0653-0747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.