Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester
TL;DR: Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester (CAS 102371-04-0) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(1-hydroxycyclohexyl)-2-phenylacetate
Also Known As: 4-10-00-01070 (Beilstein Handbook Reference), 1-Hydroxy-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester, Oxy-cyclohexyl-phenyl-essigsaeure-diaethylaminoaethyl-ester, Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester, Oxy-cyclohexyl-phenyl-essigsaeure-diaethylaminoaethyl-ester [German]
| Molecular Formula | C20H31NO3 |
|---|---|
| Molecular Weight | 333.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.2304 |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 102371-04-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCC2)O |
| InChIKey | KTWQAWSQSOISLN-UHFFFAOYSA-N |
Product Overview
Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester (CAS 102371-04-0), with molecular formula C20H31NO3 and molecular weight 333.23 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(1-hydroxycyclohexyl)-2-phenylacetate.
Chemical Property Profile of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester
Property Insights of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester
The XLogP value of 4.0 indicates that Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester 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 Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester?
The CAS number of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester is 102371-04-0.
What is the molecular formula of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester?
The molecular formula of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester is C20H31NO3.
What is the molecular weight of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester?
The molecular weight of Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester is 333.23 g/mol.
Where can I buy Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester?
You can request a quote for Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (2-(diethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.