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Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
TL;DR: Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate (CAS 106345-05-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
Also Known As: ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate, ethyl (2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 0.94656 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 387.0143 |
Chemical Identifiers
| CAS Number | 106345-05-5 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCCN1CC#N)C#N |
Product Overview
Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate (CAS 106345-05-5), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate.
Chemical Property Profile of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
Property Insights of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate
The XLogP value of 0.94656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-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-(cyanomethyl)pyrrolidin-2-ylidene]acetate?
The CAS number of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate is 106345-05-5.
What is the molecular formula of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate?
The molecular formula of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate is C11H13N3O2.
What is the molecular weight of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate?
The molecular weight of Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate is 219.10 g/mol.
Where can I buy Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate?
You can request a quote for Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-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-(cyanomethyl)pyrrolidin-2-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.