Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester (CAS 108983-07-9) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2,4,6-trimethylbenzoate
Also Known As: 4-09-00-01858 (Beilstein Handbook Reference), 2,4,6-Trimethylbenzoic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2,4,6-trimethylbenzoate, BENZOIC ACID, 2,4,6-TRIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, 2-diethylaminoethyl 2,4,6-trimethylbenzoate
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 108983-07-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1C)C)C |
| InChIKey | VZVHWWWJZRQAOW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester (CAS 108983-07-9), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2,4,6-trimethylbenzoate.
Chemical Property Profile of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester
The XLogP value of 3.6 indicates that Benzoic acid, 2,4,6-trimethyl-, 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 29.5 Ų, Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester 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 Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester is 108983-07-9.
What is the molecular formula of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester is C16H25NO2.
What is the molecular weight of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester is 263.19 g/mol.
Where can I buy Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 2,4,6-trimethyl-, 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 Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.