5-Methyl-1,3-diazaadamantan-6-one
TL;DR: 5-Methyl-1,3-diazaadamantan-6-one (CAS 103086-91-5) is a chemical compound with molecular formula C9H14N2O and molecular weight 166.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 5-Methyl-1,3-diazaadamantan-6-one, 5-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, 1-methyl-5,7-diazatricyclo[3.3.1.1<3,7>]decan-2-one
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 103086-91-5 |
|---|---|
| SMILES | CC12CN3CC(C1=O)CN(C2)C3 |
| InChIKey | YDUCEQRBZCUYSF-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,3-diazaadamantan-6-one (CAS 103086-91-5), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 5-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 5-Methyl-1,3-diazaadamantan-6-one
Property Insights of 5-Methyl-1,3-diazaadamantan-6-one
The XLogP value of -0.2 indicates that 5-Methyl-1,3-diazaadamantan-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, 5-Methyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-diazaadamantan-6-one has 0 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 5-Methyl-1,3-diazaadamantan-6-one?
The CAS number of 5-Methyl-1,3-diazaadamantan-6-one is 103086-91-5.
What is the molecular formula of 5-Methyl-1,3-diazaadamantan-6-one?
The molecular formula of 5-Methyl-1,3-diazaadamantan-6-one is C9H14N2O.
What is the molecular weight of 5-Methyl-1,3-diazaadamantan-6-one?
The molecular weight of 5-Methyl-1,3-diazaadamantan-6-one is 166.11 g/mol.
Where can I buy 5-Methyl-1,3-diazaadamantan-6-one?
You can request a quote for 5-Methyl-1,3-diazaadamantan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.