ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph
TL;DR: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph (CAS 84645-55-6) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
Also Known As: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph, ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 84645-55-6 |
|---|---|
| SMILES | CCOC(=O)CC1(CSC(=C(C#N)C(=O)OCC)N1C2=CC=CC=C2)O |
| InChIKey | VEINQIDDLKPVLT-UHFFFAOYSA-N |
Product Overview
ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph (CAS 84645-55-6), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-phenyl-1,3-thiazolidin-2-ylidene]acetate.
Chemical Property Profile of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph
Property Insights of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph has 1 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 (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph?
The CAS number of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph is 84645-55-6.
What is the molecular formula of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph?
The molecular formula of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph is C18H20N2O5S.
What is the molecular weight of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph?
The molecular weight of ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph is 376.11 g/mol.
Where can I buy ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph?
You can request a quote for ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-ph and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.