F1016-0537
TL;DR: F1016-0537 (CAS 403836-84-0) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: F1016-0537, 1-(3-(4-methoxyphenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.60212 |
| Topological Polar Surface Area | 72.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1059.8917 |
Chemical Identifiers
| CAS Number | 403836-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=CN3C)C4=CC=C(C=C4)OC |
Product Overview
F1016-0537 (CAS 403836-84-0), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: 1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of F1016-0537
Property Insights of F1016-0537
The XLogP value of 3.60212 indicates that F1016-0537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.61 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0537. Following Lipinski's Rule of Five, F1016-0537 has 0 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 F1016-0537?
The CAS number of F1016-0537 is 403836-84-0.
What is the molecular formula of F1016-0537?
The molecular formula of F1016-0537 is C22H23N5O2S.
What is the molecular weight of F1016-0537?
The molecular weight of F1016-0537 is 421.16 g/mol.
Where can I buy F1016-0537?
You can request a quote for F1016-0537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0537?
Yes, KEHONG BIO provides custom synthesis services for F1016-0537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.