F0653-0365
TL;DR: F0653-0365 (CAS 852145-31-4) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0653-0365, benzyl 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)acetate, benzyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, benzyl 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, Benzyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.9083 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1123.8375 |
Chemical Identifiers
| CAS Number | 852145-31-4 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43 |
Product Overview
F0653-0365 (CAS 852145-31-4), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: benzyl 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0653-0365
Property Insights of F0653-0365
The XLogP value of 3.9083 indicates that F0653-0365 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 F0653-0365. Following Lipinski's Rule of Five, F0653-0365 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 F0653-0365?
The CAS number of F0653-0365 is 852145-31-4.
What is the molecular formula of F0653-0365?
The molecular formula of F0653-0365 is C22H22N4O3S.
What is the molecular weight of F0653-0365?
The molecular weight of F0653-0365 is 422.14 g/mol.
Where can I buy F0653-0365?
You can request a quote for F0653-0365 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0365?
Yes, KEHONG BIO provides custom synthesis services for F0653-0365 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.