Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 41287-35-8) is a chemical compound with molecular formula C21H28ClNO4 and molecular weight 393.17 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-methoxyphenyl)-2-phenylacetate;hydrochloride
Also Known As: 4-Methoxybenzohydrol, 4-Methoxybenzilic acid 2-(diethylamino)ethyl ester hydrochloride, Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride, 2-(diethylamino)ethyl hydroxy(4-methoxyphenyl)phenylacetate hydrochloride(1:1), Benzeneacetic acid, alpha-hydroxy-4-methoxy-alpha-phenyl-, 2-(diethylamino)ethyl ester, HCl
| Molecular Formula | C21H28ClNO4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 3.2379 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.1707 |
| Heavy Atoms | 27 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 41287-35-8 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)O.Cl |
| InChIKey | BNDIEUGOMSLLDS-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 41287-35-8), with molecular formula C21H28ClNO4 and molecular weight 393.17 g/mol. IUPAC: 2-(diethylamino)ethyl 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetate;hydrochloride.
Chemical Property Profile of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of 3.2379 indicates that Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 5 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, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 41287-35-8.
What is the molecular formula of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is C21H28ClNO4.
What is the molecular weight of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 393.17 g/mol.
Where can I buy Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 4-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.