Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester
TL;DR: Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester (CAS 78200-30-3) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
Also Known As: 2-(Diethylamino)ethyl 2-phenyl-2-p-tolylglycolate, Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester, 4-10-00-01302 (Beilstein Handbook Reference), 2-Phenyl-2-p-tolylglycolic acid 2-(diethylamino)ethyl ester, 4-Methylbenzilic acid 2-(diethylamino)ethyl ester
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 78200-30-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)C)O |
| InChIKey | BLAYYINNKMRCSQ-UHFFFAOYSA-N |
Product Overview
Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester (CAS 78200-30-3), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: 2-(diethylamino)ethyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate.
Chemical Property Profile of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester
Property Insights of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 3.0 indicates that Benzilic acid, p-methyl-, 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, Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, p-methyl-, 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 Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester is 78200-30-3.
What is the molecular formula of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester is C21H27NO3.
What is the molecular weight of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester is 341.20 g/mol.
Where can I buy Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzilic acid, p-methyl-, 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 Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.