2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) (CAS 528-97-2) is a chemical compound with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate;hydrochloride
Also Known As: Phenocaine, Bronchocaine, Bronchocain, Paraesin, Wofacain A
| Molecular Formula | C17H29ClN2O3 |
|---|---|
| Molecular Weight | 344.19 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 344.18668 |
| Heavy Atoms | 23 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 528-97-2 |
|---|---|
| SMILES | CCCCNC1=CC(=C(C=C1)O)C(=O)OCCN(CC)CC.Cl |
| InChIKey | WZQHUXOIBFWXDT-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) (CAS 528-97-2), with molecular formula C17H29ClN2O3 and molecular weight 344.19 g/mol. IUPAC: 2-(diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate;hydrochloride.
Chemical Property Profile of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)
The XLogP value of 3.52 indicates that 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) has 3 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 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) is 528-97-2.
What is the molecular formula of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) is C17H29ClN2O3.
What is the molecular weight of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) is 344.19 g/mol.
Where can I buy 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 5-(butylamino)-2-hydroxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.