trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
TL;DR: trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester (CAS 126474-24-6) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (1R,6R)-6-aminocyclohex-3-ene-1-carboxylate
Also Known As: Ethyl (1R,6R)-6-aminocyclohex-3-ene-1-carboxylate, trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester, J2.296.546H, ethyl cis-2-amino-1-cyclohex-4-enecarboxylate, ethyl cis-(2-aminocyclohex-4-ene)-1-carboxylate
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | CCOC(=O)[C@@H]1CC=CC[C@H]1N |
| InChIKey | PTXUIEXYXGXMEU-HTQZYQBOSA-N |
Chemical Property Profile of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
Property Insights of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester 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
What is the CAS number of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The CAS number of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is 126474-24-6.
What is the molecular formula of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The molecular formula of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is C9H15NO2.
What is the molecular weight of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The molecular weight of trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is 169.11028 g/mol.
Where can I buy trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
You can request a quote for trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for trans-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.