1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one
TL;DR: 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one (CAS 147084-92-2) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-oxo-3,6-diazatricyclo[4.3.1.13,8]undecan-1-yl)ethyl acetate
Also Known As: 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one, 2-(9-oxo-3,6-diazatricyclo[4.3.1.1<3,8>]undecyl)ethyl acetate, 2-(9-oxo-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-1-yl)ethyl acetate, 2-(9-oxo-3,6-diazatricyclo[4.3.1.1~3,8~]undec-1-yl)ethyl acetate
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 147084-92-2 |
|---|---|
| SMILES | CC(=O)OCCC12CN3CCN(C1)CC(C3)C2=O |
| InChIKey | ILYVJIFLAIKYMA-UHFFFAOYSA-N |
Product Overview
1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one (CAS 147084-92-2), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 2-(9-oxo-3,6-diazatricyclo[4.3.1.13,8]undecan-1-yl)ethyl acetate.
Chemical Property Profile of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one
Property Insights of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one
The XLogP value of -0.6 indicates that 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.9 Ų, 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one has 0 hydrogen bond donor(s) and 5 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 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one?
The CAS number of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one is 147084-92-2.
What is the molecular formula of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one?
The molecular formula of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one is C13H20N2O3.
What is the molecular weight of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one?
The molecular weight of 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one is 252.15 g/mol.
Where can I buy 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one?
You can request a quote for 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Acetoxyethyl)-3,6-diazahomoadamantan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.