1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl
TL;DR: 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl (CAS 110331-54-9) is a chemical compound with molecular formula C21H34ClNO3 and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-phenylacetate;hydrochloride
Also Known As: 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl, Cyclohexaneacetic acid, 1-hydroxy-4-methyl-alpha-phenyl-, (2-(diethylamino)ethyl) ester, hydrochloride, 2-(Diethylamino)ethyl (1-hydroxy-4-methylcyclohexyl)(phenyl)acetate--hydrogen chloride (1/1), 2-diethylaminoethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-phenylacetate hydrochloride, RefChem:1061604
| Molecular Formula | C21H34ClNO3 |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 4.0182 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.22272 |
| Heavy Atoms | 26 |
| Complexity | 525.31757 |
Chemical Identifiers
| CAS Number | 110331-54-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCC(CC2)C)O.Cl |
Product Overview
1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl (CAS 110331-54-9), with molecular formula C21H34ClNO3 and molecular weight 383.22 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-phenylacetate;hydrochloride.
Chemical Property Profile of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl
Property Insights of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl
The XLogP value of 4.0182 indicates that 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl has 1 hydrogen bond donor(s) and 4 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 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl?
The CAS number of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl is 110331-54-9.
What is the molecular formula of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl?
The molecular formula of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl is C21H34ClNO3.
What is the molecular weight of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl?
The molecular weight of 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl is 383.22 g/mol.
Where can I buy 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl?
You can request a quote for 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.