1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride
TL;DR: 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride (CAS 52401-02-2) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride
Also Known As: 2-(2-(Dimethylamino)ethyl)-2-phenyl-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-(2-(DIMETHYLAMINO)ETHYL)-2-PHENYL-, HYDROCHLORIDE, dimethyl-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride, 1,3-Benzodioxole-2-ethanamine, N,N-dimethyl-2-phenyl-, hydrochloride, RefChem:1052692
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | -1.15 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 52401-02-2 |
|---|---|
| SMILES | C[NH+](C)CCC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.[Cl-] |
| InChIKey | VKWVQTNRDJWKBL-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride (CAS 52401-02-2), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: dimethyl-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethyl]azanium chloride.
Chemical Property Profile of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride
Property Insights of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride
The XLogP value of -1.15 indicates that 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, 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 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride?
The CAS number of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride is 52401-02-2.
What is the molecular formula of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride?
The molecular formula of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride is C17H20ClNO2.
What is the molecular weight of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride?
The molecular weight of 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride is 305.12 g/mol.
Where can I buy 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride?
You can request a quote for 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-(2-(dimethylamino)ethyl)-2-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.