RefChem:219352
TL;DR: RefChem:219352 (CAS 52479-15-9) is a chemical compound with molecular formula C21H32Cl2N2O2 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride
Also Known As: 1,3-Naphtho(2,3-d)dioxole, 2-(3-(2-(diethylamino)ethylamino)propyl)-2-methyl-, dihydrochloride, 2-(3-(2-(Diethylamino)ethylamino)propyl)-2-methyl-1,3-naphtho(2,3-d)dioxole dihydrochloride, diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride, RefChem:219352
| Molecular Formula | C21H32Cl2N2O2 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.18408 |
| Heavy Atoms | 27 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 52479-15-9 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH2+]CCCC1(OC2=CC3=CC=CC=C3C=C2O1)C.[Cl-].[Cl-] |
| InChIKey | SIPBTQZZQIHMNC-UHFFFAOYSA-N |
Product Overview
RefChem:219352 (CAS 52479-15-9), with molecular formula C21H32Cl2N2O2 and molecular weight 414.18 g/mol. IUPAC: diethyl-[2-[3-(2-methylbenzo[f][1,3]benzodioxol-2-yl)propylazaniumyl]ethyl]azanium dichloride.
Chemical Property Profile of RefChem:219352
Property Insights of RefChem:219352
The XLogP value of -4.4 indicates that RefChem:219352 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.5 Ų, RefChem:219352 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:219352 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 RefChem:219352?
The CAS number of RefChem:219352 is 52479-15-9.
What is the molecular formula of RefChem:219352?
The molecular formula of RefChem:219352 is C21H32Cl2N2O2.
What is the molecular weight of RefChem:219352?
The molecular weight of RefChem:219352 is 414.18 g/mol.
Where can I buy RefChem:219352?
You can request a quote for RefChem:219352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219352?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.