9-Xanthenecarboxylic acid 2-diethylaminoethyl ester
TL;DR: 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester (CAS 284681-85-2) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 9H-xanthene-9-carboxylate
Also Known As: 2-(Diethylamino)ethyl 9H-xanthene-9-carboxylate, 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester, 9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, .beta.-Diethylaminoethylxathene-9-carboxylate
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 284681-85-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | HIGMQFBAGGGECD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Xanthenecarboxylic acid 2-diethylaminoethyl ester (CAS 284681-85-2), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: 2-(diethylamino)ethyl 9H-xanthene-9-carboxylate.
Chemical Property Profile of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester
Property Insights of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester
The XLogP value of 3.3 indicates that 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester has 0 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 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester?
The CAS number of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester is 284681-85-2.
What is the molecular formula of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester?
The molecular formula of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester is C20H23NO3.
What is the molecular weight of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester?
The molecular weight of 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester is 325.17 g/mol.
Where can I buy 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester?
You can request a quote for 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.