3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride
TL;DR: 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride (CAS 23462-13-7) is a chemical compound with molecular formula C21H35Cl2N3 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride
Also Known As: 3-Benzyl-9-(2-piperidinoethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride, 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDE, Piperidine, 1-(2-(3-benzyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl)-, dihydrochloride, 7-Benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-7-azoniabicyclo[3.3.1]nonane dichloride, 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride
| Molecular Formula | C21H35Cl2N3 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | -5.62 |
| Topological Polar Surface Area | 12.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.2208 |
| Heavy Atoms | 26 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 23462-13-7 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCN2C3CCCC2C[NH+](C3)CC4=CC=CC=C4.[Cl-].[Cl-] |
| InChIKey | ZMZXIXVCGWFFFN-UHFFFAOYSA-N |
Product Overview
3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride (CAS 23462-13-7), with molecular formula C21H35Cl2N3 and molecular weight 399.22 g/mol. IUPAC: 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride.
Chemical Property Profile of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride
Property Insights of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride
The XLogP value of -5.62 indicates that 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride 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, 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride 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 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride?
The CAS number of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride is 23462-13-7.
What is the molecular formula of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride?
The molecular formula of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride is C21H35Cl2N3.
What is the molecular weight of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride?
The molecular weight of 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride is 399.22 g/mol.
Where can I buy 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride?
You can request a quote for 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-piperidinoethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.