1-Methyl-3,6-diazahomoadamantan-9-one
TL;DR: 1-Methyl-3,6-diazahomoadamantan-9-one (CAS 123387-98-4) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-one
Also Known As: 1-Methyl-3,6-diazahomoadamantan-9-one, 1-methyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one, 1-METHYL-3,6-DIAZATRICYCLO[4.3.1.1[3,8]]UNDECAN-9-ONE
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 123387-98-4 |
|---|---|
| SMILES | CC12CN3CCN(C1)CC(C3)C2=O |
| InChIKey | ATWBKLXZBQLUHM-UHFFFAOYSA-N |
Product Overview
1-Methyl-3,6-diazahomoadamantan-9-one (CAS 123387-98-4), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-one.
Chemical Property Profile of 1-Methyl-3,6-diazahomoadamantan-9-one
Property Insights of 1-Methyl-3,6-diazahomoadamantan-9-one
The XLogP value of -0.3 indicates that 1-Methyl-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 23.6 Ų, 1-Methyl-3,6-diazahomoadamantan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3,6-diazahomoadamantan-9-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 1-Methyl-3,6-diazahomoadamantan-9-one?
The CAS number of 1-Methyl-3,6-diazahomoadamantan-9-one is 123387-98-4.
What is the molecular formula of 1-Methyl-3,6-diazahomoadamantan-9-one?
The molecular formula of 1-Methyl-3,6-diazahomoadamantan-9-one is C10H16N2O.
What is the molecular weight of 1-Methyl-3,6-diazahomoadamantan-9-one?
The molecular weight of 1-Methyl-3,6-diazahomoadamantan-9-one is 180.13 g/mol.
Where can I buy 1-Methyl-3,6-diazahomoadamantan-9-one?
You can request a quote for 1-Methyl-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-Methyl-3,6-diazahomoadamantan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3,6-diazahomoadamantan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.