RefChem:272786
TL;DR: RefChem:272786 (CAS 23462-16-0) is a chemical compound with molecular formula C21H43Cl2N3O3 and molecular weight 455.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium;dichloride;trihydrate
Also Known As: 3-Benzyl-9-(3-(diethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate, 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-(diethylamino)propyl)-, hydrochloride, hydrate (1:3:3), 3-(3-Benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazaniumdichloride trihydrate, 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(3-(DIETHYLAMINO)PROPYL)-, HYDROCHLORI, 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium dichloride trihydrate
| Molecular Formula | C21H43Cl2N3O3 |
|---|---|
| Molecular Weight | 455.27 g/mol |
| LogP | -7.84 |
| Topological Polar Surface Area | 15.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.26816 |
| Heavy Atoms | 29 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 23462-16-0 |
|---|---|
| SMILES | CC[NH+](CC)CCC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.[Cl-].[Cl-] |
| InChIKey | ZSYIOODCTFEYQV-UHFFFAOYSA-N |
Product Overview
RefChem:272786 (CAS 23462-16-0), with molecular formula C21H43Cl2N3O3 and molecular weight 455.27 g/mol. IUPAC: 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium;dichloride;trihydrate.
Chemical Property Profile of RefChem:272786
Property Insights of RefChem:272786
The XLogP value of -7.84 indicates that RefChem:272786 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 15.1 Ų, RefChem:272786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272786 has 5 hydrogen bond donor(s) and 6 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:272786?
The CAS number of RefChem:272786 is 23462-16-0.
What is the molecular formula of RefChem:272786?
The molecular formula of RefChem:272786 is C21H43Cl2N3O3.
What is the molecular weight of RefChem:272786?
The molecular weight of RefChem:272786 is 455.27 g/mol.
Where can I buy RefChem:272786?
You can request a quote for RefChem:272786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.