2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride
TL;DR: 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride (CAS 16488-48-5) is a chemical compound with molecular formula C17H29ClN2O2 and molecular weight 328.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(butylamino)benzoyl]oxyethyl-diethylazanium chloride
Also Known As: Depolipon, Farmodent, Teecaine, Neodent Green, T-Cain
| Molecular Formula | C17H29ClN2O2 |
|---|---|
| Molecular Weight | 328.19 g/mol |
| LogP | -1.02 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 328.19174 |
| Heavy Atoms | 22 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 16488-48-5 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | XTIUAXFQEAMQRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride (CAS 16488-48-5), with molecular formula C17H29ClN2O2 and molecular weight 328.19 g/mol. IUPAC: 2-[4-(butylamino)benzoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride
Property Insights of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride
The XLogP value of -1.02 indicates that 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride has 2 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 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride?
The CAS number of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride is 16488-48-5.
What is the molecular formula of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride?
The molecular formula of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride is C17H29ClN2O2.
What is the molecular weight of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride?
The molecular weight of 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride is 328.19 g/mol.
Where can I buy 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride?
You can request a quote for 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Diethylaminoethyl 4-butylaminobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.