F1581-0022
TL;DR: F1581-0022 (CAS 1001785-86-9) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone
Also Known As: F1581-0022, 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone, 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2,4-dimethylphenoxy)ethan-1-one, 1-(3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)-2-(2,4-dimethylphenoxy)ethanone
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 4.89538 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1074.2754 |
Chemical Identifiers
| CAS Number | 1001785-86-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)[N+](=O)[O-])C)C |
Product Overview
F1581-0022 (CAS 1001785-86-9), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone.
Chemical Property Profile of F1581-0022
Property Insights of F1581-0022
The XLogP value of 4.89538 indicates that F1581-0022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F1581-0022. Following Lipinski's Rule of Five, F1581-0022 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 F1581-0022?
The CAS number of F1581-0022 is 1001785-86-9.
What is the molecular formula of F1581-0022?
The molecular formula of F1581-0022 is C21H21N3O4S.
What is the molecular weight of F1581-0022?
The molecular weight of F1581-0022 is 411.13 g/mol.
Where can I buy F1581-0022?
You can request a quote for F1581-0022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1581-0022?
Yes, KEHONG BIO provides custom synthesis services for F1581-0022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.