F1581-0058
TL;DR: F1581-0058 (CAS 1001501-46-7) is a chemical compound with molecular formula C20H17FN2OS and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one
Also Known As: F1581-0058, (2E)-1-{4-[(4-fluorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-3-phenylprop-2-en-1-one, (E)-1-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one, (E)-1-(4-((4-fluorophenyl)thio)-3,5-dimethyl-1H-pyrazol-1-yl)-3-phenylprop-2-en-1-one
| Molecular Formula | C20H17FN2OS |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 5.14384 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.10455 |
| Heavy Atoms | 25 |
| Complexity | 914.87415 |
Chemical Identifiers
| CAS Number | 1001501-46-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)/C=C/C2=CC=CC=C2)C)SC3=CC=C(C=C3)F |
Product Overview
F1581-0058 (CAS 1001501-46-7), with molecular formula C20H17FN2OS and molecular weight 352.10 g/mol. IUPAC: (E)-1-[4-(4-fluorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of F1581-0058
Property Insights of F1581-0058
The XLogP value of 5.14384 indicates that F1581-0058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, F1581-0058 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1581-0058 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1581-0058?
The CAS number of F1581-0058 is 1001501-46-7.
What is the molecular formula of F1581-0058?
The molecular formula of F1581-0058 is C20H17FN2OS.
What is the molecular weight of F1581-0058?
The molecular weight of F1581-0058 is 352.10 g/mol.
Where can I buy F1581-0058?
You can request a quote for F1581-0058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1581-0058?
Yes, KEHONG BIO provides custom synthesis services for F1581-0058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.