5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one
TL;DR: 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one (CAS 105903-73-9) is a chemical compound with molecular formula C12H24N2O and molecular weight 212.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis(2-methylpropyl)-1,3-diazinan-2-one
Also Known As: 5,5-diisobutyl-tetrahydro-pyrimidin-2-one, 5,5-bis(2-methylpropyl)-1,3-diazinan-2-one, 5,5-bis(2-methylpropyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C12H24N2O |
|---|---|
| Molecular Weight | 212.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.18886 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 105903-73-9 |
|---|---|
| SMILES | CC(C)CC1(CNC(=O)NC1)CC(C)C |
| InChIKey | PYVMLMHORCUZHY-UHFFFAOYSA-N |
Product Overview
5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one (CAS 105903-73-9), with molecular formula C12H24N2O and molecular weight 212.19 g/mol. IUPAC: 5,5-bis(2-methylpropyl)-1,3-diazinan-2-one.
Chemical Property Profile of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one
Property Insights of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one. With a topological polar surface area (TPSA) of 41.1 Ų, 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one has 2 hydrogen bond donor(s) and 1 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 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one?
The CAS number of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one is 105903-73-9.
What is the molecular formula of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one?
The molecular formula of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one is C12H24N2O.
What is the molecular weight of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one?
The molecular weight of 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one is 212.19 g/mol.
Where can I buy 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one?
You can request a quote for 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Bis(2-methylpropyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.