ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate
TL;DR: ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate (CAS 24716-94-7) 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.
trans-ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate
Also Known As: ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate, Ethyl (1S,2S)-2-aminocyclohexanecarboxylate, (1S,2S)-2-Aminocyclohexane-1-carboxylic acid ethyl ester, J2.506.560C, (1S,2S)-2-aMinocyclohexanecarboxylic acid ethyl ester
| 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 | 24716-94-7 |
|---|---|
| SMILES | CCOC(=O)[C@H]1CCCC[C@@H]1N |
Product Overview
ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate (CAS 24716-94-7), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: trans-ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate.
Chemical Property Profile of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate
Property Insights of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate
The XLogP value of 1.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1S,2S)-2-aminocyclohexane-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 (1S,2S)-2-aminocyclohexane-1-carboxylate?
The CAS number of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate is 24716-94-7.
What is the molecular formula of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate?
The molecular formula of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate is C9H17NO2.
What is the molecular weight of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate?
The molecular weight of ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate is 171.13 g/mol.
Where can I buy ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate?
You can request a quote for ethyl (1S,2S)-2-aminocyclohexane-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 (1S,2S)-2-aminocyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1S,2S)-2-aminocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.