Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 54465-04-2) is a chemical compound with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylbenzoyl)oxyethyl-diethylazanium chloride
Also Known As: 2-Diethylaminoethyl 3,5-dimethylbenzoate hydrochloride, 2-(3,5-dimethylbenzoyl)oxyethyl-diethylazanium chloride, 3,5-Dimethylbenzoic acid 2-(diethylamino)ethyl ester hydrochloride, BENZOIC ACID, 3,5-DIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, RefChem:1079048
| Molecular Formula | C15H24ClNO2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.14957 |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 54465-04-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=CC(=C1)C)C.[Cl-] |
| InChIKey | CORLSPRSJQXMTP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 54465-04-2), with molecular formula C15H24ClNO2 and molecular weight 285.15 g/mol. IUPAC: 2-(3,5-dimethylbenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.61 indicates that Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride has 1 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, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride is 54465-04-2.
What is the molecular formula of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride is C15H24ClNO2.
What is the molecular weight of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride is 285.15 g/mol.
Where can I buy Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3,5-dimethyl-, 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 Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dimethyl-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.