F0653-0813
TL;DR: F0653-0813 (CAS 852167-65-8) is a chemical compound with molecular formula C26H20FN5O3S and molecular weight 501.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0653-0813, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C26H20FN5O3S |
|---|---|
| Molecular Weight | 501.13 g/mol |
| LogP | 5.0567 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.12708 |
| Heavy Atoms | 36 |
| Complexity | 1563.9161 |
Chemical Identifiers
| CAS Number | 852167-65-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CNC6=CC=CC=C65 |
Product Overview
F0653-0813 (CAS 852167-65-8), with molecular formula C26H20FN5O3S and molecular weight 501.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0653-0813
Property Insights of F0653-0813
The XLogP value of 5.0567 indicates that F0653-0813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F0653-0813. Following Lipinski's Rule of Five, F0653-0813 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0653-0813?
The CAS number of F0653-0813 is 852167-65-8.
What is the molecular formula of F0653-0813?
The molecular formula of F0653-0813 is C26H20FN5O3S.
What is the molecular weight of F0653-0813?
The molecular weight of F0653-0813 is 501.13 g/mol.
Where can I buy F0653-0813?
You can request a quote for F0653-0813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0653-0813?
Yes, KEHONG BIO provides custom synthesis services for F0653-0813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.