RefChem:217861
TL;DR: RefChem:217861 (CAS 65210-34-6) is a chemical compound with molecular formula C21H34Cl2N2O2 and molecular weight 416.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride
Also Known As: C21H32N2O2.2ClH.1/2H2O, C21-H32-N2-O2.2Cl-H.1/2H2-O, 1,3-Benzodioxole, 2-methyl-2-(2-piperidinoethyl)-5-(piperidinomethyl)-, dihydrochloride, hemihydrate, 1-[2-[2-Methyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzodioxol-2-yl]ethyl]piperidin-1-ium dichloride, 1,3-BENZODIOXOLE, 2-METHYL-2-(2-PIPERIDINOETHYL)-5-(PIPERIDINOMETHYL)-, DIHYDROC
| Molecular Formula | C21H34Cl2N2O2 |
|---|---|
| Molecular Weight | 416.20 g/mol |
| LogP | -4.79 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.19974 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 65210-34-6 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C=C2)C[NH+]3CCCCC3)CC[NH+]4CCCCC4.[Cl-].[Cl-] |
| InChIKey | MPWWFXDLVRUNNT-UHFFFAOYSA-N |
Product Overview
RefChem:217861 (CAS 65210-34-6), with molecular formula C21H34Cl2N2O2 and molecular weight 416.20 g/mol. IUPAC: 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride.
Chemical Property Profile of RefChem:217861
Property Insights of RefChem:217861
The XLogP value of -4.79 indicates that RefChem:217861 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.3 Ų, RefChem:217861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217861 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:217861?
The CAS number of RefChem:217861 is 65210-34-6.
What is the molecular formula of RefChem:217861?
The molecular formula of RefChem:217861 is C21H34Cl2N2O2.
What is the molecular weight of RefChem:217861?
The molecular weight of RefChem:217861 is 416.20 g/mol.
Where can I buy RefChem:217861?
You can request a quote for RefChem:217861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217861?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.