Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 22684-77-1) is a chemical compound with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-butoxy-3-methoxybenzoyl)oxyethyl-diethylazanium chloride
Also Known As: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-diethylazanium chloride, 2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(diethylamino)ethyl ester, BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, RefChem:1078978
| Molecular Formula | C18H30ClNO4 |
|---|---|
| Molecular Weight | 359.19 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 359.18634 |
| Heavy Atoms | 24 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 22684-77-1 |
|---|---|
| SMILES | CCCCOC1=C(C=CC=C1OC)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | BGLQEQJSABKOQX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 22684-77-1), with molecular formula C18H30ClNO4 and molecular weight 359.19 g/mol. IUPAC: 2-(2-butoxy-3-methoxybenzoyl)oxyethyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.04 indicates that Benzoic acid, 2-butoxy-3-methoxy-, 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 49.2 Ų, Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride has 1 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 Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 22684-77-1.
What is the molecular formula of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is C18H30ClNO4.
What is the molecular weight of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride is 359.19 g/mol.
Where can I buy Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 2-butoxy-3-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 Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.