RefChem:272780
TL;DR: RefChem:272780 (CAS 23462-03-5) is a chemical compound with molecular formula C18H31Cl2N3 and molecular weight 359.19 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-dimethylazanium dichloride
Also Known As: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)ethyl)-, dihydrochloride, 3-Benzyl-N,N-dimethyl-3,9-diazabicyclo(3.3.1)nonane-9-ethylamine dihydrochloride, 3-Benzyl-9-(2-(dimethylamino)ethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride, 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazaniumdichloride, 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium dichloride
| Molecular Formula | C18H31Cl2N3 |
|---|---|
| Molecular Weight | 359.19 g/mol |
| LogP | -6.54 |
| Topological Polar Surface Area | 12.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1895 |
| Heavy Atoms | 23 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 23462-03-5 |
|---|---|
| SMILES | C[NH+](C)CC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | CDDPXKFBRVMEEW-UHFFFAOYSA-N |
Product Overview
RefChem:272780 (CAS 23462-03-5), with molecular formula C18H31Cl2N3 and molecular weight 359.19 g/mol. IUPAC: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:272780
Property Insights of RefChem:272780
The XLogP value of -6.54 indicates that RefChem:272780 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:272780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272780 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:272780?
The CAS number of RefChem:272780 is 23462-03-5.
What is the molecular formula of RefChem:272780?
The molecular formula of RefChem:272780 is C18H31Cl2N3.
What is the molecular weight of RefChem:272780?
The molecular weight of RefChem:272780 is 359.19 g/mol.
Where can I buy RefChem:272780?
You can request a quote for RefChem:272780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272780?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.