![ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate structure](/static/products/342/342652-12-4.png)
ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate
TL;DR: ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate (CAS 342652-12-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate
Also Known As: Aceticacid,cyano[ -3-methylcyclopentylidene]-,ethylester, -, Ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate, Acetic acid, cyano[(3R)-3-methylcyclopentylidene]-, ethyl ester, (2E)- (9CI)
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.18968 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 298.89963 |
Chemical Identifiers
| CAS Number | 342652-12-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/1\CC[C@H](C1)C)/C#N |
Product Overview
ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate (CAS 342652-12-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate.
Chemical Property Profile of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate
Property Insights of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate
The XLogP value of 2.18968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate. With a topological polar surface area (TPSA) of 50.09 Ų, ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate has 0 hydrogen bond donor(s) and 3 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-[(3R)-3-methylcyclopentylidene]acetate?
The CAS number of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate is 342652-12-4.
What is the molecular formula of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate?
The molecular formula of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate is C11H15NO2.
What is the molecular weight of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate?
The molecular weight of ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate is 193.11 g/mol.
Where can I buy ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate?
You can request a quote for ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate 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-[(3R)-3-methylcyclopentylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-2-[(3R)-3-methylcyclopentylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.