F0545-0727
TL;DR: F0545-0727 (CAS 681279-83-4) is a chemical compound with molecular formula C32H28FN3OS2 and molecular weight 553.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F0545-0727, 2-((1-(2,5-dimethylbenzyl)-1H-indol-3-yl)thio)-1-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-({1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C32H28FN3OS2 |
|---|---|
| Molecular Weight | 553.17 g/mol |
| LogP | 7.97704 |
| Topological Polar Surface Area | 37.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.1658 |
| Heavy Atoms | 39 |
| Complexity | 1671.9052 |
Chemical Identifiers
| CAS Number | 681279-83-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=C(C=C6)F |
Product Overview
F0545-0727 (CAS 681279-83-4), with molecular formula C32H28FN3OS2 and molecular weight 553.17 g/mol. IUPAC: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F0545-0727
Property Insights of F0545-0727
The XLogP value of 7.97704 indicates that F0545-0727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.6 Ų, F0545-0727 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0727 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 F0545-0727?
The CAS number of F0545-0727 is 681279-83-4.
What is the molecular formula of F0545-0727?
The molecular formula of F0545-0727 is C32H28FN3OS2.
What is the molecular weight of F0545-0727?
The molecular weight of F0545-0727 is 553.17 g/mol.
Where can I buy F0545-0727?
You can request a quote for F0545-0727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0727?
Yes, KEHONG BIO provides custom synthesis services for F0545-0727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.