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Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
TL;DR: Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (CAS 60356-11-8) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
Also Known As: Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate, 2-cyano-2-(1,4-dioxaspiro[4.5]dec-8-ylidene)Acetic acid ethyl ester, ethyl 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-2-cyanoacetate, Ethyl cyano(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate, ethyl 2-cyano-2-[1,4-dioxaspiro[4.5]decan-8-ylidene]acetate
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 1.68678 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 389.70453 |
Chemical Identifiers
| CAS Number | 60356-11-8 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCC2(CC1)OCCO2)C#N |
Product Overview
Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate (CAS 60356-11-8), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
Property Insights of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
The XLogP value of 1.68678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate has 0 hydrogen bond donor(s) and 5 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 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The CAS number of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is 60356-11-8.
What is the molecular formula of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The molecular formula of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is C13H17NO4.
What is the molecular weight of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
The molecular weight of Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate is 251.12 g/mol.
Where can I buy Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
You can request a quote for Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.