Ethyl 2-(4-methoxycyclohexylidene)acetate
TL;DR: Ethyl 2-(4-methoxycyclohexylidene)acetate (CAS 55103-56-5) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methoxycyclohexylidene)acetate
Also Known As: ethyl 2-(4-methoxycyclohexylidene)acetate, Ethyl (4-methoxycyclohexylidene)acetate, ethyl 2-(4-methoxycyclohexylidene)ethanoate, Ethyl (4-methoxycyclohexylidene)acetate #, 4-Methoxycyclohexylideneacetic acid ethyl ester
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 55103-56-5 |
|---|---|
| SMILES | CCOC(=O)C=C1CCC(CC1)OC |
| InChIKey | FDLBWCKJHBAADM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-methoxycyclohexylidene)acetate (CAS 55103-56-5), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 2-(4-methoxycyclohexylidene)acetate.
Chemical Property Profile of Ethyl 2-(4-methoxycyclohexylidene)acetate
Property Insights of Ethyl 2-(4-methoxycyclohexylidene)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-methoxycyclohexylidene)acetate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2-(4-methoxycyclohexylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-methoxycyclohexylidene)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 2-(4-methoxycyclohexylidene)acetate?
The CAS number of Ethyl 2-(4-methoxycyclohexylidene)acetate is 55103-56-5.
What is the molecular formula of Ethyl 2-(4-methoxycyclohexylidene)acetate?
The molecular formula of Ethyl 2-(4-methoxycyclohexylidene)acetate is C11H18O3.
What is the molecular weight of Ethyl 2-(4-methoxycyclohexylidene)acetate?
The molecular weight of Ethyl 2-(4-methoxycyclohexylidene)acetate is 198.13 g/mol.
Where can I buy Ethyl 2-(4-methoxycyclohexylidene)acetate?
You can request a quote for Ethyl 2-(4-methoxycyclohexylidene)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-(4-methoxycyclohexylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-methoxycyclohexylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.