F0554-0431
TL;DR: F0554-0431 (CAS 532973-07-2) is a chemical compound with molecular formula C27H26FN3O2S and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide
Also Known As: F0554-0431, N-{2-[3-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-fluorobenzamide, N-[2-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide, N-(2-(3-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2-fluorobenzamide, N-[2-[3-[(2,5-dimethylphenyl)carbamoylmethylsulfanyl]indol-1-yl]ethyl]-2-fluoro-benzamide
| Molecular Formula | C27H26FN3O2S |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 5.55804 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.17297 |
| Heavy Atoms | 34 |
| Complexity | 1348.9702 |
Chemical Identifiers
| CAS Number | 532973-07-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F |
Product Overview
F0554-0431 (CAS 532973-07-2), with molecular formula C27H26FN3O2S and molecular weight 475.17 g/mol. IUPAC: N-[2-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide.
Chemical Property Profile of F0554-0431
Property Insights of F0554-0431
The XLogP value of 5.55804 indicates that F0554-0431 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 F0554-0431. Following Lipinski's Rule of Five, F0554-0431 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 F0554-0431?
The CAS number of F0554-0431 is 532973-07-2.
What is the molecular formula of F0554-0431?
The molecular formula of F0554-0431 is C27H26FN3O2S.
What is the molecular weight of F0554-0431?
The molecular weight of F0554-0431 is 475.17 g/mol.
Where can I buy F0554-0431?
You can request a quote for F0554-0431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0431?
Yes, KEHONG BIO provides custom synthesis services for F0554-0431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.