F1016-0580
TL;DR: F1016-0580 (CAS 403837-27-4) is a chemical compound with molecular formula C26H25ClN2O4S and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F1016-0580, 2-[(4-chlorophenyl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-((4-chlorophenyl)thio)-1-(5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(4-chlorophenyl)sulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C26H25ClN2O4S |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 5.8358 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.12234 |
| Heavy Atoms | 34 |
| Complexity | 1182.4099 |
Chemical Identifiers
| CAS Number | 403837-27-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CSC4=CC=C(C=C4)Cl |
Product Overview
F1016-0580 (CAS 403837-27-4), with molecular formula C26H25ClN2O4S and molecular weight 496.12 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F1016-0580
Property Insights of F1016-0580
The XLogP value of 5.8358 indicates that F1016-0580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F1016-0580. Following Lipinski's Rule of Five, F1016-0580 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1016-0580?
The CAS number of F1016-0580 is 403837-27-4.
What is the molecular formula of F1016-0580?
The molecular formula of F1016-0580 is C26H25ClN2O4S.
What is the molecular weight of F1016-0580?
The molecular weight of F1016-0580 is 496.12 g/mol.
Where can I buy F1016-0580?
You can request a quote for F1016-0580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0580?
Yes, KEHONG BIO provides custom synthesis services for F1016-0580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.