F0545-0057
TL;DR: F0545-0057 (CAS 681273-86-9) is a chemical compound with molecular formula C34H31N3O3S and molecular weight 561.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F0545-0057, 2-((1-benzyl-1H-indol-3-yl)thio)-1-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]-1-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone, 2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone
| Molecular Formula | C34H31N3O3S |
|---|---|
| Molecular Weight | 561.21 g/mol |
| LogP | 7.1768 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.2086 |
| Heavy Atoms | 41 |
| Complexity | 1678.7399 |
Chemical Identifiers
| CAS Number | 681273-86-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=C(C=C6)OC |
Product Overview
F0545-0057 (CAS 681273-86-9), with molecular formula C34H31N3O3S and molecular weight 561.21 g/mol. IUPAC: 2-(1-benzylindol-3-yl)sulfanyl-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F0545-0057
Property Insights of F0545-0057
The XLogP value of 7.1768 indicates that F0545-0057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0057 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 F0545-0057?
The CAS number of F0545-0057 is 681273-86-9.
What is the molecular formula of F0545-0057?
The molecular formula of F0545-0057 is C34H31N3O3S.
What is the molecular weight of F0545-0057?
The molecular weight of F0545-0057 is 561.21 g/mol.
Where can I buy F0545-0057?
You can request a quote for F0545-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0057?
Yes, KEHONG BIO provides custom synthesis services for F0545-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.