F1063-0696
TL;DR: F1063-0696 (CAS 681817-45-8) is a chemical compound with molecular formula C17H17NO5S2 and molecular weight 379.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: F1063-0696, (Z)-ethyl 4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate, ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate, ethyl 4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate, ethyl 4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo-1,3-thia zolidin-3-yl]butanoate
| Molecular Formula | C17H17NO5S2 |
|---|---|
| Molecular Weight | 379.05 g/mol |
| LogP | 2.9598 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.0548 |
| Heavy Atoms | 25 |
| Complexity | 746.5538 |
Chemical Identifiers
| CAS Number | 681817-45-8 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S |
Product Overview
F1063-0696 (CAS 681817-45-8), with molecular formula C17H17NO5S2 and molecular weight 379.05 g/mol. IUPAC: ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of F1063-0696
Property Insights of F1063-0696
The XLogP value of 2.9598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1063-0696. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for F1063-0696. Following Lipinski's Rule of Five, F1063-0696 has 0 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 F1063-0696?
The CAS number of F1063-0696 is 681817-45-8.
What is the molecular formula of F1063-0696?
The molecular formula of F1063-0696 is C17H17NO5S2.
What is the molecular weight of F1063-0696?
The molecular weight of F1063-0696 is 379.05 g/mol.
Where can I buy F1063-0696?
You can request a quote for F1063-0696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1063-0696?
Yes, KEHONG BIO provides custom synthesis services for F1063-0696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.