F0554-0096
TL;DR: F0554-0096 (CAS 532970-38-0) is a chemical compound with molecular formula C27H23ClF3N3O2S and molecular weight 545.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide
Also Known As: F0554-0096, N-(2-{3-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2-methylbenzamide, N-(2-(3-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2-methylbenzamide, N-[2-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide, N-[2-(3-{[N-2-chloro-5-(trifluoromethyl)phenylcarbamoyl]methylthio}-1-indolyl)ethyl]-o-toluamide
| Molecular Formula | C27H23ClF3N3O2S |
|---|---|
| Molecular Weight | 545.12 g/mol |
| LogP | 6.78272 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.1152 |
| Heavy Atoms | 37 |
| Complexity | 1452.6082 |
Chemical Identifiers
| CAS Number | 532970-38-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
F0554-0096 (CAS 532970-38-0), with molecular formula C27H23ClF3N3O2S and molecular weight 545.12 g/mol. IUPAC: N-[2-[3-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methylbenzamide.
Chemical Property Profile of F0554-0096
Property Insights of F0554-0096
The XLogP value of 6.78272 indicates that F0554-0096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F0554-0096. Following Lipinski's Rule of Five, F0554-0096 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0554-0096?
The CAS number of F0554-0096 is 532970-38-0.
What is the molecular formula of F0554-0096?
The molecular formula of F0554-0096 is C27H23ClF3N3O2S.
What is the molecular weight of F0554-0096?
The molecular weight of F0554-0096 is 545.12 g/mol.
Where can I buy F0554-0096?
You can request a quote for F0554-0096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0096?
Yes, KEHONG BIO provides custom synthesis services for F0554-0096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.