F0653-0650
TL;DR: F0653-0650 (CAS 852167-46-5) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0650, methyl 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate, Methyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.6979 |
| Topological Polar Surface Area | 91.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1200.9149 |
Chemical Identifiers
| CAS Number | 852167-46-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0650 (CAS 852167-46-5), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: methyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0653-0650
Property Insights of F0653-0650
The XLogP value of 3.6979 indicates that F0653-0650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0650. Following Lipinski's Rule of Five, F0653-0650 has 1 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 F0653-0650?
The CAS number of F0653-0650 is 852167-46-5.
What is the molecular formula of F0653-0650?
The molecular formula of F0653-0650 is C21H20N4O4S.
What is the molecular weight of F0653-0650?
The molecular weight of F0653-0650 is 424.12 g/mol.
Where can I buy F0653-0650?
You can request a quote for F0653-0650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0650?
Yes, KEHONG BIO provides custom synthesis services for F0653-0650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.