alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate
TL;DR: alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate (CAS 33360-26-8) is a chemical compound with molecular formula C27H41NO9 and molecular weight 523.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate, 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate 2-hydroxypropane-1,2,3-tricarboxylate(1:1), Cyclohexaneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester, citrate, hydrate (1:1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-(diethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate (1/1), 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate,2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C27H41NO9 |
|---|---|
| Molecular Weight | 523.28 g/mol |
| LogP | 3.1611 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 523.27814 |
| Heavy Atoms | 37 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 33360-26-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C)(C1CCCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | JOJISMFMYAQGPC-UHFFFAOYSA-N |
Product Overview
alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate (CAS 33360-26-8), with molecular formula C27H41NO9 and molecular weight 523.28 g/mol. IUPAC: 2-(diethylamino)ethyl 2-cyclohexyl-2-phenylpropanoate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate
Property Insights of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate
The XLogP value of 3.1611 indicates that alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate?
The CAS number of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate is 33360-26-8.
What is the molecular formula of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate?
The molecular formula of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate is C27H41NO9.
What is the molecular weight of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate?
The molecular weight of alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate is 523.28 g/mol.
Where can I buy alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate?
You can request a quote for alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-alpha-phenyl-cyclohexaneacetic acid 2-(diethylamino)ethyl ester citrate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.