3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride (CAS 64304-22-9) is a chemical compound with molecular formula C18H29ClN2 and molecular weight 308.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride
Also Known As: 3-Benzyl-7-butylbispidine hydrochloride, 3-Benzyl-7-butyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-7-BUTYL-, HYDROCHLORIDE, 3-benzyl-7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride, 3,7-Diazabicyclo[3.3.1]nonane, 3-butyl-7-(phenylmethyl)-, monohydrochloride
| Molecular Formula | C18H29ClN2 |
|---|---|
| Molecular Weight | 308.20 g/mol |
| LogP | -1.17 |
| Topological Polar Surface Area | 7.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.20193 |
| Heavy Atoms | 21 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 64304-22-9 |
|---|---|
| SMILES | CCCC[NH+]1CC2CC(C1)CN(C2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | SUBWDUGBQLRTAT-UHFFFAOYSA-N |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride (CAS 64304-22-9), with molecular formula C18H29ClN2 and molecular weight 308.20 g/mol. IUPAC: 3-benzyl-7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonane chloride.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride
The XLogP value of -1.17 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, 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-benzyl-7-butyl-, 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-benzyl-7-butyl-, 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-benzyl-7-butyl-, hydrochloride?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride is 64304-22-9.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride is C18H29ClN2.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride is 308.20 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, 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-benzyl-7-butyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzyl-7-butyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.