1,3-Diazatricyclo(3.3.1.13,7)decan-6-one
TL;DR: 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one (CAS 20397-57-3) is a chemical compound with molecular formula C8H12N2O and molecular weight 152.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diazatricyclo[3.3.1.13,7]decan-4-one
Also Known As: 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one, 1,3-diazatricyclo[3.3.1.13,7]decan-4-one, 1,3-Diazatricyclo[3.3.1.13,7]decan-6-one, 1,3-Diazatricyclo[3.3.1.1~3,7~]decan-4-one
| Molecular Formula | C8H12N2O |
|---|---|
| Molecular Weight | 152.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.09496 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 20397-57-3 |
|---|---|
| SMILES | C1C2CN3CC1C(=O)N(C2)C3 |
| InChIKey | KPOCCEPRBFGKHW-UHFFFAOYSA-N |
Product Overview
1,3-Diazatricyclo(3.3.1.13,7)decan-6-one (CAS 20397-57-3), with molecular formula C8H12N2O and molecular weight 152.09 g/mol. IUPAC: 1,3-diazatricyclo[3.3.1.13,7]decan-4-one.
Chemical Property Profile of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one
Property Insights of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one
The XLogP value of -0.2 indicates that 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.6 Ų, 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diazatricyclo(3.3.1.13,7)decan-6-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 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one?
The CAS number of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one is 20397-57-3.
What is the molecular formula of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one?
The molecular formula of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one is C8H12N2O.
What is the molecular weight of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one?
The molecular weight of 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one is 152.09 g/mol.
Where can I buy 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one?
You can request a quote for 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.