F0545-0061
TL;DR: F0545-0061 (CAS 681273-90-5) is a chemical compound with molecular formula C32H29N3O3S2 and molecular weight 567.17 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-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F0545-0061, 2-((1-benzyl-1H-indol-3-yl)thio)-1-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]-1-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-(1-benzylindol-3-yl)sulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C32H29N3O3S2 |
|---|---|
| Molecular Weight | 567.17 g/mol |
| LogP | 7.2383 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 567.16504 |
| Heavy Atoms | 40 |
| Complexity | 1661.8318 |
Chemical Identifiers
| CAS Number | 681273-90-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C6=CC=CS6 |
Product Overview
F0545-0061 (CAS 681273-90-5), with molecular formula C32H29N3O3S2 and molecular weight 567.17 g/mol. IUPAC: 2-(1-benzylindol-3-yl)sulfanyl-1-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F0545-0061
Property Insights of F0545-0061
The XLogP value of 7.2383 indicates that F0545-0061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0061 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 F0545-0061?
The CAS number of F0545-0061 is 681273-90-5.
What is the molecular formula of F0545-0061?
The molecular formula of F0545-0061 is C32H29N3O3S2.
What is the molecular weight of F0545-0061?
The molecular weight of F0545-0061 is 567.17 g/mol.
Where can I buy F0545-0061?
You can request a quote for F0545-0061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0061?
Yes, KEHONG BIO provides custom synthesis services for F0545-0061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.