![Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate structure](/static/products/796/79663-72-2.png)
Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate
TL;DR: Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate (CAS 79663-72-2) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate
Also Known As: ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate, IDI1_007935, ethyl 1-carbamoylbicyclo[2.2.2]octane-4-carboxylate, ethyl 1-(aminocarbonyl)bicyclo(2.2.2)octane-4-carboxylate
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 79663-72-2 |
|---|---|
| SMILES | CCOC(=O)C12CCC(CC1)(CC2)C(=O)N |
| InChIKey | XEVIHSMVVLGYLO-UHFFFAOYSA-N |
Product Overview
Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate (CAS 79663-72-2), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate.
Chemical Property Profile of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate
Property Insights of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate has 1 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 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate?
The CAS number of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate is 79663-72-2.
What is the molecular formula of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate?
The molecular formula of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate is C12H19NO3.
What is the molecular weight of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate?
The molecular weight of Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate is 225.14 g/mol.
Where can I buy Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate?
You can request a quote for Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.