F0558-0035
TL;DR: F0558-0035 (CAS 681222-50-4) is a chemical compound with molecular formula C22H28N4O4S2 and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: F0558-0035, ethyl 4-(2-((2-((4-(4-ethylphenyl)thiazol-2-yl)amino)-2-oxoethyl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-{2-[({[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-[2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
| Molecular Formula | C22H28N4O4S2 |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 3.3449 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.1552 |
| Heavy Atoms | 32 |
| Complexity | 924.26697 |
Chemical Identifiers
| CAS Number | 681222-50-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC |
Product Overview
F0558-0035 (CAS 681222-50-4), with molecular formula C22H28N4O4S2 and molecular weight 476.16 g/mol. IUPAC: ethyl 4-[2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0558-0035
Property Insights of F0558-0035
The XLogP value of 3.3449 indicates that F0558-0035 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for F0558-0035. Following Lipinski's Rule of Five, F0558-0035 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0558-0035?
The CAS number of F0558-0035 is 681222-50-4.
What is the molecular formula of F0558-0035?
The molecular formula of F0558-0035 is C22H28N4O4S2.
What is the molecular weight of F0558-0035?
The molecular weight of F0558-0035 is 476.16 g/mol.
Where can I buy F0558-0035?
You can request a quote for F0558-0035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0558-0035?
Yes, KEHONG BIO provides custom synthesis services for F0558-0035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.