1-Azatricyclo(3.3.1.1,3,7)decan-4-one
TL;DR: 1-Azatricyclo(3.3.1.1,3,7)decan-4-one (CAS 42949-24-6) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azatricyclo[3.3.1.13,7]decan-4-one
Also Known As: 5-azaadamantan-2-one, 1-Azatricyclo[3.3.1.1(3,7)]decan-4-one, 1-Aza-4-oxoadamantane, 1-azaadamantan-4-one, Azaadamantan-4-one
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 42949-24-6 |
|---|---|
| SMILES | C1C2CC3CN(C2)CC1C3=O |
| InChIKey | XGZKYPXTXBKQTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Azatricyclo(3.3.1.1,3,7)decan-4-one (CAS 42949-24-6), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 1-azatricyclo[3.3.1.13,7]decan-4-one.
Chemical Property Profile of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one
Property Insights of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azatricyclo(3.3.1.1,3,7)decan-4-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Azatricyclo(3.3.1.1,3,7)decan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azatricyclo(3.3.1.1,3,7)decan-4-one has 0 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 1-Azatricyclo(3.3.1.1,3,7)decan-4-one?
The CAS number of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one is 42949-24-6.
What is the molecular formula of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one?
The molecular formula of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one is C9H13NO.
What is the molecular weight of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one?
The molecular weight of 1-Azatricyclo(3.3.1.1,3,7)decan-4-one is 151.10 g/mol.
Where can I buy 1-Azatricyclo(3.3.1.1,3,7)decan-4-one?
You can request a quote for 1-Azatricyclo(3.3.1.1,3,7)decan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azatricyclo(3.3.1.1,3,7)decan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Azatricyclo(3.3.1.1,3,7)decan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.