F1581-0021
TL;DR: F1581-0021 (CAS 1001785-83-6) is a chemical compound with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone
Also Known As: F1581-0021, 1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone, 1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2,4-dimethylphenoxy)ethan-1-one, 1-(4-((4-chlorophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)-2-(2,4-dimethylphenoxy)ethanone, 1-[4-(p-chlorophenylthio)-3,5-dimethyl-1-pyrazolyl]-2-(2,4-xylyloxy)-1-ethanone
| Molecular Formula | C21H21ClN2O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.64058 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.10123 |
| Heavy Atoms | 27 |
| Complexity | 980.59186 |
Chemical Identifiers
| CAS Number | 1001785-83-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)N2C(=C(C(=N2)C)SC3=CC=C(C=C3)Cl)C)C |
Product Overview
F1581-0021 (CAS 1001785-83-6), with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol. IUPAC: 1-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-2-(2,4-dimethylphenoxy)ethanone.
Chemical Property Profile of F1581-0021
Property Insights of F1581-0021
The XLogP value of 5.64058 indicates that F1581-0021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, F1581-0021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1581-0021 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1581-0021?
The CAS number of F1581-0021 is 1001785-83-6.
What is the molecular formula of F1581-0021?
The molecular formula of F1581-0021 is C21H21ClN2O2S.
What is the molecular weight of F1581-0021?
The molecular weight of F1581-0021 is 400.10 g/mol.
Where can I buy F1581-0021?
You can request a quote for F1581-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1581-0021?
Yes, KEHONG BIO provides custom synthesis services for F1581-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.