F0545-0534
TL;DR: F0545-0534 (CAS 681276-69-7) is a chemical compound with molecular formula C25H21F3N2OS and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: F0545-0534, 2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C25H21F3N2OS |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 6.74762 |
| Topological Polar Surface Area | 34.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13266 |
| Heavy Atoms | 32 |
| Complexity | 1246.2697 |
Chemical Identifiers
| CAS Number | 681276-69-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
F0545-0534 (CAS 681276-69-7), with molecular formula C25H21F3N2OS and molecular weight 454.13 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of F0545-0534
Property Insights of F0545-0534
The XLogP value of 6.74762 indicates that F0545-0534 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.03 Ų, F0545-0534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0534 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0534?
The CAS number of F0545-0534 is 681276-69-7.
What is the molecular formula of F0545-0534?
The molecular formula of F0545-0534 is C25H21F3N2OS.
What is the molecular weight of F0545-0534?
The molecular weight of F0545-0534 is 454.13 g/mol.
Where can I buy F0545-0534?
You can request a quote for F0545-0534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0534?
Yes, KEHONG BIO provides custom synthesis services for F0545-0534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.