3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride (CAS 64304-23-0) is a chemical compound with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibenzyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride
Also Known As: 3,7-Dibenzylbispidine hydrochloride, 3,7-Dibenzyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3,7-DIBENZYL-, HYDROCHLORIDE, 3,7-dibenzyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride, 3,7-Diazabicyclo[3.3.1]nonane, 3,7-bis(phenylmethyl)-, monohydrochloride
| Molecular Formula | C21H27ClN2 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 7.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.18628 |
| Heavy Atoms | 24 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 64304-23-0 |
|---|---|
| SMILES | C1C2C[NH+](CC1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | HHONZOKNSFSZIR-UHFFFAOYSA-N |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride (CAS 64304-23-0), with molecular formula C21H27ClN2 and molecular weight 342.19 g/mol. IUPAC: 3,7-dibenzyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride
The XLogP value of -0.77 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.7 Ų, 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride has 1 hydrogen bond donor(s) and 2 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 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride is 64304-23-0.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride is C21H27ClN2.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride is 342.19 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibenzyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.