F0558-0076
TL;DR: F0558-0076 (CAS 681222-95-7) is a chemical compound with molecular formula C20H23FN4O4S2 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: F0558-0076, ethyl 4-(2-((2-((4-(4-fluorophenyl)thiazol-2-yl)amino)-2-oxoethyl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-{2-[({[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-[2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
| Molecular Formula | C20H23FN4O4S2 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 2.9216 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.11447 |
| Heavy Atoms | 31 |
| Complexity | 914.15857 |
Chemical Identifiers
| CAS Number | 681222-95-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F |
Product Overview
F0558-0076 (CAS 681222-95-7), with molecular formula C20H23FN4O4S2 and molecular weight 466.11 g/mol. IUPAC: ethyl 4-[2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0558-0076
Property Insights of F0558-0076
The XLogP value of 2.9216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0558-0076. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for F0558-0076. Following Lipinski's Rule of Five, F0558-0076 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 F0558-0076?
The CAS number of F0558-0076 is 681222-95-7.
What is the molecular formula of F0558-0076?
The molecular formula of F0558-0076 is C20H23FN4O4S2.
What is the molecular weight of F0558-0076?
The molecular weight of F0558-0076 is 466.11 g/mol.
Where can I buy F0558-0076?
You can request a quote for F0558-0076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0558-0076?
Yes, KEHONG BIO provides custom synthesis services for F0558-0076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.