1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one
TL;DR: 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one (CAS 19656-75-8) is a chemical compound with molecular formula C11H22N2O and molecular weight 198.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(2-methylbutan-2-yl)diaziridin-3-one
Also Known As: Di-tert-amyldiaziridinone, Diaziridinone, di-tert-pentyl-, 1,2-bis(2-methylbutan-2-yl)diaziridin-3-one, 1,2-Di-tert-pentyldiaziridin-3-one, Diaziridinone, bis(1,1-dimethylpropyl)-
| Molecular Formula | C11H22N2O |
|---|---|
| Molecular Weight | 198.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.17322 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 19656-75-8 |
|---|---|
| SMILES | CCC(C)(C)N1C(=O)N1C(C)(C)CC |
| InChIKey | NLXMJNQBAAGFFV-UHFFFAOYSA-N |
Product Overview
1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one (CAS 19656-75-8), with molecular formula C11H22N2O and molecular weight 198.17 g/mol. IUPAC: 1,2-bis(2-methylbutan-2-yl)diaziridin-3-one.
Chemical Property Profile of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one
Property Insights of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one. With a topological polar surface area (TPSA) of 23.1 Ų, 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one has 0 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 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one?
The CAS number of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one is 19656-75-8.
What is the molecular formula of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one?
The molecular formula of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one is C11H22N2O.
What is the molecular weight of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one?
The molecular weight of 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one is 198.17 g/mol.
Where can I buy 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one?
You can request a quote for 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(2-methylbutan-2-yl)diaziridin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.