RefChem:272779
TL;DR: RefChem:272779 (CAS 23531-23-9) is a chemical compound with molecular formula C20H35Cl2N3 and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(diethylamino)ethyl)-, dihydrochloride, 3-Benzyl-N,N-diethyl-3,9-diazabicyclo(3.3.1)nonane-9-ethylamine dihydrochloride, 3-Benzyl-9-(2-(diethylamino)ethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride, 2-(3-Benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazaniumdichloride, 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride
| Molecular Formula | C20H35Cl2N3 |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | -5.76 |
| Topological Polar Surface Area | 12.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.2208 |
| Heavy Atoms | 25 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 23531-23-9 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | JDFVTEVOACZRQR-UHFFFAOYSA-N |
Product Overview
RefChem:272779 (CAS 23531-23-9), with molecular formula C20H35Cl2N3 and molecular weight 387.22 g/mol. IUPAC: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride.
Chemical Property Profile of RefChem:272779
Property Insights of RefChem:272779
The XLogP value of -5.76 indicates that RefChem:272779 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.1 Ų, RefChem:272779 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272779 has 2 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 RefChem:272779?
The CAS number of RefChem:272779 is 23531-23-9.
What is the molecular formula of RefChem:272779?
The molecular formula of RefChem:272779 is C20H35Cl2N3.
What is the molecular weight of RefChem:272779?
The molecular weight of RefChem:272779 is 387.22 g/mol.
Where can I buy RefChem:272779?
You can request a quote for RefChem:272779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272779?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.