2,2,6,6-Tetramethylpiperidin-4-yl isocyanate
TL;DR: 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate (CAS 84712-82-3) is a chemical compound with molecular formula C10H18N2O and molecular weight 182.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyanato-2,2,6,6-tetramethylpiperidine
Also Known As: EINECS 283-773-9, 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate, 4-isocyanato-2,2,6,6-tetramethylpiperidine, Piperidine,4-isocyanato-2,2,6,6-tetramethyl, Piperidine,4-isocyanato-2,2,6,6-tetramethyl-
| Molecular Formula | C10H18N2O |
|---|---|
| Molecular Weight | 182.14 g/mol |
| LogP | 1.6314 |
| Topological Polar Surface Area | 41.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.1419 |
| Heavy Atoms | 13 |
| Complexity | 223.3093 |
Chemical Identifiers
| CAS Number | 84712-82-3 |
|---|---|
| SMILES | CC1(CC(CC(N1)(C)C)N=C=O)C |
Product Overview
2,2,6,6-Tetramethylpiperidin-4-yl isocyanate (CAS 84712-82-3), with molecular formula C10H18N2O and molecular weight 182.14 g/mol. IUPAC: 4-isocyanato-2,2,6,6-tetramethylpiperidine.
Chemical Property Profile of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate
Property Insights of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate
The XLogP value of 1.6314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate. With a topological polar surface area (TPSA) of 41.46 Ų, 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate has 1 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 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate?
The CAS number of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate is 84712-82-3.
What is the molecular formula of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate?
The molecular formula of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate is C10H18N2O.
What is the molecular weight of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate?
The molecular weight of 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate is 182.14 g/mol.
Where can I buy 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate?
You can request a quote for 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,6,6-Tetramethylpiperidin-4-yl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.