Ethyl 3-aminocyclohexanecarboxylate
TL;DR: Ethyl 3-aminocyclohexanecarboxylate (CAS 33073-64-2) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-aminocyclohexane-1-carboxylate
Also Known As: Ethyl 3-aminocyclohexanecarboxylate, ethyl 3-aminocyclohexane-1-carboxylate, Ethyl3-aminocyclohexanecarboxylate, ethyl (1S,3S)-3-aminocyclohexanecarboxylate, 3-amino-cyclohexanecarboxylic acid ethyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 33073-64-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCC(C1)N |
| InChIKey | VALZPPHHDRBGHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-aminocyclohexanecarboxylate (CAS 33073-64-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: ethyl 3-aminocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 3-aminocyclohexanecarboxylate
Property Insights of Ethyl 3-aminocyclohexanecarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-aminocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-aminocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-aminocyclohexanecarboxylate 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 3-aminocyclohexanecarboxylate?
The CAS number of Ethyl 3-aminocyclohexanecarboxylate is 33073-64-2.
What is the molecular formula of Ethyl 3-aminocyclohexanecarboxylate?
The molecular formula of Ethyl 3-aminocyclohexanecarboxylate is C9H17NO2.
What is the molecular weight of Ethyl 3-aminocyclohexanecarboxylate?
The molecular weight of Ethyl 3-aminocyclohexanecarboxylate is 171.13 g/mol.
Where can I buy Ethyl 3-aminocyclohexanecarboxylate?
You can request a quote for Ethyl 3-aminocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-aminocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-aminocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.