Ethyl 1-aminocyclohexanecarboxylate
TL;DR: Ethyl 1-aminocyclohexanecarboxylate (CAS 4507-57-7) 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 1-aminocyclohexane-1-carboxylate
Also Known As: ethyl 1-aminocyclohexanecarboxylate, ethyl 1-aminocyclohexane-1-carboxylate, 1-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER, ethyl1-aminocyclohexanecarboxylate, 1-aminocyclohexanecarboxylic acid ethyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.2 |
| 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 | 162.0 |
Chemical Identifiers
| CAS Number | 4507-57-7 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1)N |
| InChIKey | KUAFMPWKUNNUEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-aminocyclohexanecarboxylate (CAS 4507-57-7), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: ethyl 1-aminocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 1-aminocyclohexanecarboxylate
Property Insights of Ethyl 1-aminocyclohexanecarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-aminocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 1-aminocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-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 1-aminocyclohexanecarboxylate?
The CAS number of Ethyl 1-aminocyclohexanecarboxylate is 4507-57-7.
What is the molecular formula of Ethyl 1-aminocyclohexanecarboxylate?
The molecular formula of Ethyl 1-aminocyclohexanecarboxylate is C9H17NO2.
What is the molecular weight of Ethyl 1-aminocyclohexanecarboxylate?
The molecular weight of Ethyl 1-aminocyclohexanecarboxylate is 171.13 g/mol.
Where can I buy Ethyl 1-aminocyclohexanecarboxylate?
You can request a quote for Ethyl 1-aminocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-aminocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-aminocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.