F0545-0816
TL;DR: F0545-0816 (CAS 681280-18-2) is a chemical compound with molecular formula C28H26BrN3O3S and molecular weight 563.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone
Also Known As: F0545-0816, 1-(3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-methyl-1H-indol-3-yl)thio)ethanone, 1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[(1-methyl-1H-indol-3-yl)sulfanyl]ethan-1-one, 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone
| Molecular Formula | C28H26BrN3O3S |
|---|---|
| Molecular Weight | 563.09 g/mol |
| LogP | 6.428 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.0878 |
| Heavy Atoms | 36 |
| Complexity | 1448.4596 |
Chemical Identifiers
| CAS Number | 681280-18-2 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)SCC(=O)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(C(=CC=C5)OC)OC |
Product Overview
F0545-0816 (CAS 681280-18-2), with molecular formula C28H26BrN3O3S and molecular weight 563.09 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylindol-3-yl)sulfanylethanone.
Chemical Property Profile of F0545-0816
Property Insights of F0545-0816
The XLogP value of 6.428 indicates that F0545-0816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0816 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0816?
The CAS number of F0545-0816 is 681280-18-2.
What is the molecular formula of F0545-0816?
The molecular formula of F0545-0816 is C28H26BrN3O3S.
What is the molecular weight of F0545-0816?
The molecular weight of F0545-0816 is 563.09 g/mol.
Where can I buy F0545-0816?
You can request a quote for F0545-0816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0816?
Yes, KEHONG BIO provides custom synthesis services for F0545-0816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.