4,6-Ditert-butylpyrimidine 1-oxide
TL;DR: 4,6-Ditert-butylpyrimidine 1-oxide (CAS 60546-01-2) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-1-oxidopyrimidin-1-ium
Also Known As: 4,6-ditert-butylpyrimidine 1-oxide, 4,6-ditert-butyl-1-oxidopyrimidin-1-ium, 4,6-bis(tert-butyl)pyrimidin-1-ol, 4,6-Di-tert-butylpyrimidine 1-oxide
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 2.31 |
| Topological Polar Surface Area | 39.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 358.86536 |
Chemical Identifiers
| CAS Number | 60546-01-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=[N+](C=N1)[O-])C(C)(C)C |
Product Overview
4,6-Ditert-butylpyrimidine 1-oxide (CAS 60546-01-2), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: 4,6-ditert-butyl-1-oxidopyrimidin-1-ium.
Chemical Property Profile of 4,6-Ditert-butylpyrimidine 1-oxide
Property Insights of 4,6-Ditert-butylpyrimidine 1-oxide
The XLogP value of 2.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Ditert-butylpyrimidine 1-oxide. With a topological polar surface area (TPSA) of 39.83 Ų, 4,6-Ditert-butylpyrimidine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Ditert-butylpyrimidine 1-oxide 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 4,6-Ditert-butylpyrimidine 1-oxide?
The CAS number of 4,6-Ditert-butylpyrimidine 1-oxide is 60546-01-2.
What is the molecular formula of 4,6-Ditert-butylpyrimidine 1-oxide?
The molecular formula of 4,6-Ditert-butylpyrimidine 1-oxide is C12H20N2O.
What is the molecular weight of 4,6-Ditert-butylpyrimidine 1-oxide?
The molecular weight of 4,6-Ditert-butylpyrimidine 1-oxide is 208.16 g/mol.
Where can I buy 4,6-Ditert-butylpyrimidine 1-oxide?
You can request a quote for 4,6-Ditert-butylpyrimidine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Ditert-butylpyrimidine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Ditert-butylpyrimidine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.