Methyl 2-cyano-2-(cyclohex-1-enyl)propionate
TL;DR: Methyl 2-cyano-2-(cyclohex-1-enyl)propionate (CAS 69016-12-2) 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.
methyl 2-cyano-2-(cyclohexen-1-yl)propanoate
Also Known As: methyl2-cyano-2- propionate, EINECS 273-787-3, Methyl 2-cyano-2-(cyclohex-1-enyl)propionate, methyl 2-cyano-2-(cyclohexen-1-yl)propanoate, Methylcyclohexenylcyanoacetic acid methyl ester
| 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 | 300.89963 |
Chemical Identifiers
| CAS Number | 69016-12-2 |
|---|---|
| SMILES | CC(C#N)(C1=CCCCC1)C(=O)OC |
Product Overview
Methyl 2-cyano-2-(cyclohex-1-enyl)propionate (CAS 69016-12-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 2-cyano-2-(cyclohexen-1-yl)propanoate.
Chemical Property Profile of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate
Property Insights of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate
The XLogP value of 2.18968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-2-(cyclohex-1-enyl)propionate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-cyano-2-(cyclohex-1-enyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-2-(cyclohex-1-enyl)propionate 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 Methyl 2-cyano-2-(cyclohex-1-enyl)propionate?
The CAS number of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate is 69016-12-2.
What is the molecular formula of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate?
The molecular formula of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate is C11H15NO2.
What is the molecular weight of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate?
The molecular weight of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate is 193.11 g/mol.
Where can I buy Methyl 2-cyano-2-(cyclohex-1-enyl)propionate?
You can request a quote for Methyl 2-cyano-2-(cyclohex-1-enyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-2-(cyclohex-1-enyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-(cyclohex-1-enyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.