Ethyl(1s,2r)-2-aminocyclohexanecarboxylate
TL;DR: Ethyl(1s,2r)-2-aminocyclohexanecarboxylate (CAS 113056-51-2) 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.
cis-ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate
Also Known As: ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate, (1S,2R)-Ethyl 2-aminocyclohexanecarboxylate, ethyl(1s,2r)-2-aminocyclohexanecarboxylate, Cyclohexanecarboxylic acid, 2-amino-, ethyl ester, (1S,2R)-, (1S,2R)-Ethyl2-aminocyclohexanecarboxylate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.067 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 158.60753 |
Chemical Identifiers
| CAS Number | 113056-51-2 |
|---|---|
| SMILES | CCOC(=O)[C@H]1CCCC[C@H]1N |
Product Overview
Ethyl(1s,2r)-2-aminocyclohexanecarboxylate (CAS 113056-51-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: cis-ethyl (1S,2R)-2-aminocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate
Property Insights of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate
The XLogP value of 1.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(1s,2r)-2-aminocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl(1s,2r)-2-aminocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(1s,2r)-2-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(1s,2r)-2-aminocyclohexanecarboxylate?
The CAS number of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate is 113056-51-2.
What is the molecular formula of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate?
The molecular formula of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate is C9H17NO2.
What is the molecular weight of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate?
The molecular weight of Ethyl(1s,2r)-2-aminocyclohexanecarboxylate is 171.13 g/mol.
Where can I buy Ethyl(1s,2r)-2-aminocyclohexanecarboxylate?
You can request a quote for Ethyl(1s,2r)-2-aminocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(1s,2r)-2-aminocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(1s,2r)-2-aminocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.