3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride (CAS 70802-28-7) is a chemical compound with molecular formula C18H27ClN2O and molecular weight 322.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride
Also Known As: 3-Benzoyl-7-butylbispidine hydrochloride, 3-Benzoyl-7-butyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride, 3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZOYL-7-BUTYL-, HYDROCHLORIDE, (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride, 3,7-Diazabicyclo[3.3.1]nonane, 3-benzoyl-7-butyl-, monohydrochloride
| Molecular Formula | C18H27ClN2O |
|---|---|
| Molecular Weight | 322.18 g/mol |
| LogP | -1.53 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.18118 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 70802-28-7 |
|---|---|
| SMILES | CCCC[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | LTTZJZRYQIZHPN-UHFFFAOYSA-N |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride (CAS 70802-28-7), with molecular formula C18H27ClN2O and molecular weight 322.18 g/mol. IUPAC: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride
The XLogP value of -1.53 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-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 24.8 Ų, 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-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-benzoyl-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-benzoyl-7-butyl-, hydrochloride?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride is 70802-28-7.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride is C18H27ClN2O.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride is 322.18 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-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-benzoyl-7-butyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.