3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride (CAS 67196-20-7) is a chemical compound with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride
Also Known As: 3-(2-Benzoylethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-BENZOYLETHYL)-8-PROPIONYL-, HYDROCHLORIDE, 3-(3-Oxo-3-phenylpropyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride, 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride, 3,8-Diazabicyclo[3.2.1]octane, 3-(3-oxo-3-phenylpropyl)-8-(1-oxopropyl)-, monohydrochloride
| Molecular Formula | C18H25ClN2O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | -2.07 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.16046 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 67196-20-7 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1C[NH+](C2)CCC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | CLVGTTCJWXOWEG-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride (CAS 67196-20-7), with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol. IUPAC: 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride
The XLogP value of -2.07 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.8 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride has 1 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 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride is 67196-20-7.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride is C18H25ClN2O2.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride is 336.16 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.