Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate
TL;DR: Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate (CAS 5959-44-4) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(dimethylamino)methyl]-1-ethylcyclohexyl] benzoate
Also Known As: Aminohexane, aminohexan, 2-((Dimethylamino)methyl)-1-ethylcyclohexanol benzoate, 4-13-00-00599 (Beilstein Handbook Reference), Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5959-44-4 |
|---|---|
| SMILES | CCC1(CCCCC1CN(C)C)OC(=O)C2=CC=CC=C2 |
| InChIKey | XMIJRFQYCUBWFZ-UHFFFAOYSA-N |
Product Overview
Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate (CAS 5959-44-4), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: [2-[(dimethylamino)methyl]-1-ethylcyclohexyl] benzoate.
Chemical Property Profile of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate
Property Insights of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate
The XLogP value of 4.2 indicates that Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate has 0 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 Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate?
The CAS number of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate is 5959-44-4.
What is the molecular formula of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate?
The molecular formula of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate is C18H27NO2.
What is the molecular weight of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate?
The molecular weight of Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate is 289.20 g/mol.
Where can I buy Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate?
You can request a quote for Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 2-((dimethylamino)methyl)-1-ethyl-, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.