F1016-0722
TL;DR: F1016-0722 (CAS 403843-76-5) is a chemical compound with molecular formula C25H21FN4O2S and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F1016-0722, 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C25H21FN4O2S |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 5.1806 |
| Topological Polar Surface Area | 70.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.13693 |
| Heavy Atoms | 33 |
| Complexity | 1285.5117 |
Chemical Identifiers
| CAS Number | 403843-76-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NC5=CC=CC=C5N4 |
Product Overview
F1016-0722 (CAS 403843-76-5), with molecular formula C25H21FN4O2S and molecular weight 460.14 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F1016-0722
Property Insights of F1016-0722
The XLogP value of 5.1806 indicates that F1016-0722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0722. Following Lipinski's Rule of Five, F1016-0722 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1016-0722?
The CAS number of F1016-0722 is 403843-76-5.
What is the molecular formula of F1016-0722?
The molecular formula of F1016-0722 is C25H21FN4O2S.
What is the molecular weight of F1016-0722?
The molecular weight of F1016-0722 is 460.14 g/mol.
Where can I buy F1016-0722?
You can request a quote for F1016-0722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0722?
Yes, KEHONG BIO provides custom synthesis services for F1016-0722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.