F1379-0074
TL;DR: F1379-0074 (CAS 609792-86-1) is a chemical compound with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yloxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: F1379-0074, 3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-5-((4-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole, 3-[(1,3-benzodioxol-5-yloxy)methyl]-5-[(4-nitrobenzyl)thio]-4-phenyl-4h-1,2,4-triazole
| Molecular Formula | C23H18N4O5S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 4.7755 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.0998 |
| Heavy Atoms | 33 |
| Complexity | 1278.0187 |
Chemical Identifiers
| CAS Number | 609792-86-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F1379-0074 (CAS 609792-86-1), with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yloxymethyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of F1379-0074
Property Insights of F1379-0074
The XLogP value of 4.7755 indicates that F1379-0074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.54 Ų falls within the moderate polarity range, balancing permeability and solubility for F1379-0074. Following Lipinski's Rule of Five, F1379-0074 has 0 hydrogen bond donor(s) and 8 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 F1379-0074?
The CAS number of F1379-0074 is 609792-86-1.
What is the molecular formula of F1379-0074?
The molecular formula of F1379-0074 is C23H18N4O5S.
What is the molecular weight of F1379-0074?
The molecular weight of F1379-0074 is 462.10 g/mol.
Where can I buy F1379-0074?
You can request a quote for F1379-0074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1379-0074?
Yes, KEHONG BIO provides custom synthesis services for F1379-0074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.