Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate
TL;DR: Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate (CAS 38778-78-8) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylamino)cyclohexene-1-carboxylate
Also Known As: EINECS 254-124-7, Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate, ethyl 2-(benzylamino)cyclohexene-1-carboxylate, 1-Benzylamino-2-ethoxycarbonyl-cyclohexen, J2.809.292J
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.1674 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 451.07657 |
Chemical Identifiers
| CAS Number | 38778-78-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(CCCC1)NCC2=CC=CC=C2 |
Product Overview
Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate (CAS 38778-78-8), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: ethyl 2-(benzylamino)cyclohexene-1-carboxylate.
Chemical Property Profile of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate
Property Insights of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate
The XLogP value of 3.1674 indicates that Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-((benzyl)amino)cyclohexene-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 2-((benzyl)amino)cyclohexene-1-carboxylate?
The CAS number of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate is 38778-78-8.
What is the molecular formula of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate?
The molecular formula of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate is C16H21NO2.
What is the molecular weight of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate?
The molecular weight of Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate is 259.16 g/mol.
Where can I buy Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate?
You can request a quote for Ethyl 2-((benzyl)amino)cyclohexene-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 2-((benzyl)amino)cyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.