F0653-0651
TL;DR: F0653-0651 (CAS 852167-47-6) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0651, ethyl 2-((4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, Ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 4.088 |
| Topological Polar Surface Area | 91.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1217.4255 |
Chemical Identifiers
| CAS Number | 852167-47-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)OC)OC)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0651 (CAS 852167-47-6), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: ethyl 2-[[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0653-0651
Property Insights of F0653-0651
The XLogP value of 4.088 indicates that F0653-0651 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 F0653-0651. Following Lipinski's Rule of Five, F0653-0651 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 F0653-0651?
The CAS number of F0653-0651 is 852167-47-6.
What is the molecular formula of F0653-0651?
The molecular formula of F0653-0651 is C22H22N4O4S.
What is the molecular weight of F0653-0651?
The molecular weight of F0653-0651 is 438.14 g/mol.
Where can I buy F0653-0651?
You can request a quote for F0653-0651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0651?
Yes, KEHONG BIO provides custom synthesis services for F0653-0651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.