Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester
TL;DR: Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester (CAS 57093-77-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate
Also Known As: Ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate, Ethyl cyano(4-methylcyclohexylidene)acetate, Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester, cyano-(4-methyl-cyclohexylidene)-acetic acid ethyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.57978 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 302.07404 |
Chemical Identifiers
| CAS Number | 57093-77-3 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCC(CC1)C)C#N |
Product Overview
Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester (CAS 57093-77-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-cyano-2-(4-methylcyclohexylidene)acetate.
Chemical Property Profile of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester
Property Insights of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester
The XLogP value of 2.57978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester 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 Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester?
The CAS number of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester is 57093-77-3.
What is the molecular formula of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester?
The molecular formula of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester is C12H17NO2.
What is the molecular weight of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester?
The molecular weight of Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester is 207.13 g/mol.
Where can I buy Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester?
You can request a quote for Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano(4-methylcyclohexylidene)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.