cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
TL;DR: cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester (CAS 749187-35-7) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
Also Known As: cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester, ethyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate, J2.506.554I, rac-ethyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate, ethyl cis-2-amino-1-cyclohex-4-enecarboxylate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.843 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 188.96756 |
Chemical Identifiers
| CAS Number | 749187-35-7 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CC=CC[C@@H]1N |
Product Overview
cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester (CAS 749187-35-7), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: ethyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
Property Insights of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester
The XLogP value of 0.843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-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
Frequently Asked Questions
What is the CAS number of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The CAS number of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is 749187-35-7.
What is the molecular formula of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The molecular formula of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is C9H15NO2.
What is the molecular weight of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
The molecular weight of cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester is 169.11 g/mol.
Where can I buy cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
You can request a quote for cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for cis-6-Amino-cyclohex-3-enecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.