F0554-0598
TL;DR: F0554-0598 (CAS 532974-34-8) is a chemical compound with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide
Also Known As: F0554-0598, N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide, N-(2-(3-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-3,5-dimethylbenzamide, N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,5-dimethylbenzamide, N-[2-[3-[(4-ethoxyphenyl)carbamoylmethylsulfanyl]indol-1-yl]ethyl]-3,5-dimethyl-benzamide
| Molecular Formula | C29H31N3O3S |
|---|---|
| Molecular Weight | 501.21 g/mol |
| LogP | 5.81764 |
| Topological Polar Surface Area | 72.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.20862 |
| Heavy Atoms | 36 |
| Complexity | 1341.9596 |
Chemical Identifiers
| CAS Number | 532974-34-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=CC(=C4)C)C |
Product Overview
F0554-0598 (CAS 532974-34-8), with molecular formula C29H31N3O3S and molecular weight 501.21 g/mol. IUPAC: N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,5-dimethylbenzamide.
Chemical Property Profile of F0554-0598
Property Insights of F0554-0598
The XLogP value of 5.81764 indicates that F0554-0598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F0554-0598. Following Lipinski's Rule of Five, F0554-0598 has 2 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 F0554-0598?
The CAS number of F0554-0598 is 532974-34-8.
What is the molecular formula of F0554-0598?
The molecular formula of F0554-0598 is C29H31N3O3S.
What is the molecular weight of F0554-0598?
The molecular weight of F0554-0598 is 501.21 g/mol.
Where can I buy F0554-0598?
You can request a quote for F0554-0598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0554-0598?
Yes, KEHONG BIO provides custom synthesis services for F0554-0598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.