F0545-1145
TL;DR: F0545-1145 (CAS 681216-97-7) is a chemical compound with molecular formula C28H26FN3O2S and molecular weight 487.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylindol-3-yl)sulfanyl-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F0545-1145, 2-((1-ethyl-1H-indol-3-yl)thio)-1-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(1-ethylindol-3-yl)sulfanyl-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone, 2-[(1-ethyl-1H-indol-3-yl)sulfanyl]-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
| Molecular Formula | C28H26FN3O2S |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 6.2789 |
| Topological Polar Surface Area | 46.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.17297 |
| Heavy Atoms | 35 |
| Complexity | 1379.8619 |
Chemical Identifiers
| CAS Number | 681216-97-7 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F |
Product Overview
F0545-1145 (CAS 681216-97-7), with molecular formula C28H26FN3O2S and molecular weight 487.17 g/mol. IUPAC: 2-(1-ethylindol-3-yl)sulfanyl-1-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F0545-1145
Property Insights of F0545-1145
The XLogP value of 6.2789 indicates that F0545-1145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.83 Ų, F0545-1145 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-1145 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 F0545-1145?
The CAS number of F0545-1145 is 681216-97-7.
What is the molecular formula of F0545-1145?
The molecular formula of F0545-1145 is C28H26FN3O2S.
What is the molecular weight of F0545-1145?
The molecular weight of F0545-1145 is 487.17 g/mol.
Where can I buy F0545-1145?
You can request a quote for F0545-1145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-1145?
Yes, KEHONG BIO provides custom synthesis services for F0545-1145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.