F1063-0622
TL;DR: F1063-0622 (CAS 431929-27-0) is a chemical compound with molecular formula C22H25N3O6S2 and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate
Also Known As: F1063-0622, ethyl 4-{4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl}piperazine-1-carboxylate, (Z)-ethyl 4-(4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)piperazine-1-carboxylate, ethyl 4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate, ethyl 4-{4-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}-1-piperazinecarboxylate
| Molecular Formula | C22H25N3O6S2 |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 2.6974 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.11847 |
| Heavy Atoms | 33 |
| Complexity | 990.3433 |
Chemical Identifiers
| CAS Number | 431929-27-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S |
Product Overview
F1063-0622 (CAS 431929-27-0), with molecular formula C22H25N3O6S2 and molecular weight 491.12 g/mol. IUPAC: ethyl 4-[4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]piperazine-1-carboxylate.
Chemical Property Profile of F1063-0622
Property Insights of F1063-0622
The XLogP value of 2.6974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1063-0622. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0622. Following Lipinski's Rule of Five, F1063-0622 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 F1063-0622?
The CAS number of F1063-0622 is 431929-27-0.
What is the molecular formula of F1063-0622?
The molecular formula of F1063-0622 is C22H25N3O6S2.
What is the molecular weight of F1063-0622?
The molecular weight of F1063-0622 is 491.12 g/mol.
Where can I buy F1063-0622?
You can request a quote for F1063-0622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0622?
Yes, KEHONG BIO provides custom synthesis services for F1063-0622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.