F0594-0112
TL;DR: F0594-0112 (CAS 850936-82-2) is a chemical compound with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0594-0112, ETHYL 4-(2-{[5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETYL)PIPERAZINE-1-CARBOXYLATE, ethyl 4-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)piperazine-1-carboxylate, ethyl 4-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate
| Molecular Formula | C18H22N4O5S |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 2.138 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1311 |
| Heavy Atoms | 28 |
| Complexity | 802.5622 |
Chemical Identifiers
| CAS Number | 850936-82-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC |
Product Overview
F0594-0112 (CAS 850936-82-2), with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol. IUPAC: ethyl 4-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0594-0112
Property Insights of F0594-0112
The XLogP value of 2.138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0594-0112. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F0594-0112. Following Lipinski's Rule of Five, F0594-0112 has 0 hydrogen bond donor(s) and 8 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 F0594-0112?
The CAS number of F0594-0112 is 850936-82-2.
What is the molecular formula of F0594-0112?
The molecular formula of F0594-0112 is C18H22N4O5S.
What is the molecular weight of F0594-0112?
The molecular weight of F0594-0112 is 406.13 g/mol.
Where can I buy F0594-0112?
You can request a quote for F0594-0112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0594-0112?
Yes, KEHONG BIO provides custom synthesis services for F0594-0112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.