ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate
TL;DR: ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate (CAS 169613-89-2) is a chemical compound with molecular formula C18H20O8S and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate
Also Known As: ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate, ethyl (4Z)-4-(3,4-dimethoxy-5-oxofuran-2(5H)-ylidene)-2-(phe
| Molecular Formula | C18H20O8S |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 1.7272 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.0879 |
| Heavy Atoms | 27 |
| Complexity | 867.8825 |
Chemical Identifiers
| CAS Number | 169613-89-2 |
|---|---|
| SMILES | CCOC(=O)C(C/C=C\1/C(=C(C(=O)O1)OC)OC)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate (CAS 169613-89-2), with molecular formula C18H20O8S and molecular weight 396.09 g/mol. IUPAC: ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate.
Chemical Property Profile of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate
Property Insights of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate
The XLogP value of 1.7272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate. Following Lipinski's Rule of Five, ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate 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 ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate?
The CAS number of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate is 169613-89-2.
What is the molecular formula of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate?
The molecular formula of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate is C18H20O8S.
What is the molecular weight of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate?
The molecular weight of ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate is 396.09 g/mol.
Where can I buy ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate?
You can request a quote for ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4Z)-2-(benzenesulfonyl)-4-(3,4-dimethoxy-5-oxofuran-2-ylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.