![Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate structure](/static/products/6713/67136-04-3.webp)
Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate
TL;DR: Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate (CAS 67136-04-3) is a chemical compound with molecular formula C20H22O6Se and molecular weight 438.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethoxy-1,8-dioxo-9-phenylselanyl-2-oxaspiro[4.5]dec-6-ene-3-carboxylate
Also Known As: Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate, 2-Oxaspiro[4.5]dec-6-ene-3-carboxylic acid, 3-ethoxy-1,8-dioxo-9-(phenylseleno)-, ethyl ester, 3-Ethoxy-1,8-dioxo-9-phenylseleno-2-oxaspiro[4.5]dec-6-ene-3-carboxylic acid ethyl ester, 3-Ethoxy-1,8-dioxo-9-phenylseleno-2-oxaspiro[4.5]dec-6-ene-3-carboxylicacidethylester, ethyl 2-ethoxy-4,8-dioxo-7-phenylselanyl-3-oxaspiro[4.5]dec-9-ene-2-carboxylate
| Molecular Formula | C20H22O6Se |
|---|---|
| Molecular Weight | 438.06 g/mol |
| LogP | 1.5628 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.05817 |
| Heavy Atoms | 27 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 67136-04-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC2(CC(C(=O)C=C2)[Se]C3=CC=CC=C3)C(=O)O1)OCC |
| InChIKey | IXGNKFJGVIASEJ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate (CAS 67136-04-3), with molecular formula C20H22O6Se and molecular weight 438.06 g/mol. IUPAC: ethyl 3-ethoxy-1,8-dioxo-9-phenylselanyl-2-oxaspiro[4.5]dec-6-ene-3-carboxylate.
Chemical Property Profile of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate
Property Insights of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate
The XLogP value of 1.5628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate?
The CAS number of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate is 67136-04-3.
What is the molecular formula of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate?
The molecular formula of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate is C20H22O6Se.
What is the molecular weight of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate?
The molecular weight of Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate is 438.06 g/mol.
Where can I buy Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate?
You can request a quote for Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethoxy-1,8-dioxo-9-(phenylselanyl)-2-oxaspiro[4.5]dec-6-ene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.