Di-tert-butyldiaziridinone
TL;DR: Di-tert-butyldiaziridinone (CAS 19656-74-7) is a chemical compound with molecular formula C9H18N2O and molecular weight 170.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-ditert-butyldiaziridin-3-one
Also Known As: Di-tert-Butyldiaziridinone, di-t-butyldiaziridinone, 1,2-Di-tert-butyldiaziridin-3-one, Diaziridinone, di-tert-butyl-, 1,2-ditert-butyldiaziridin-3-one
| Molecular Formula | C9H18N2O |
|---|---|
| Molecular Weight | 170.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.1419 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 19656-74-7 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)N1C(C)(C)C |
| InChIKey | WCHLJTGWJIJZMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyldiaziridinone (CAS 19656-74-7), with molecular formula C9H18N2O and molecular weight 170.14 g/mol. IUPAC: 1,2-ditert-butyldiaziridin-3-one.
Chemical Property Profile of Di-tert-butyldiaziridinone
Property Insights of Di-tert-butyldiaziridinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyldiaziridinone. With a topological polar surface area (TPSA) of 23.1 Ų, Di-tert-butyldiaziridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-tert-butyldiaziridinone 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 Di-tert-butyldiaziridinone?
The CAS number of Di-tert-butyldiaziridinone is 19656-74-7.
What is the molecular formula of Di-tert-butyldiaziridinone?
The molecular formula of Di-tert-butyldiaziridinone is C9H18N2O.
What is the molecular weight of Di-tert-butyldiaziridinone?
The molecular weight of Di-tert-butyldiaziridinone is 170.14 g/mol.
Where can I buy Di-tert-butyldiaziridinone?
You can request a quote for Di-tert-butyldiaziridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyldiaziridinone?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyldiaziridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.