3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride (CAS 69781-13-1) is a chemical compound with molecular formula C17H26ClN3O and molecular weight 323.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]azanium chloride
Also Known As: 3-(2-Anilinoethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-ANILINOETHYL)-8-PROPIONYL-, HYDROCHLORIDE, phenyl-[2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]azanium chloride, RefChem:272675
| Molecular Formula | C17H26ClN3O |
|---|---|
| Molecular Weight | 323.18 g/mol |
| LogP | -2.03 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.17645 |
| Heavy Atoms | 22 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 69781-13-1 |
|---|---|
| SMILES | CCC(=O)N1C2CCC1CN(C2)CC[NH2+]C3=CC=CC=C3.[Cl-] |
| InChIKey | IVPABUZILPDROA-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride (CAS 69781-13-1), with molecular formula C17H26ClN3O and molecular weight 323.18 g/mol. IUPAC: phenyl-[2-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl]azanium chloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride
The XLogP value of -2.03 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-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 40.2 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-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-anilinoethyl)-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-anilinoethyl)-8-propionyl-, hydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride is 69781-13-1.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride is C17H26ClN3O.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride is 323.18 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-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-anilinoethyl)-8-propionyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 3-(2-anilinoethyl)-8-propionyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.