2,2-Dimethylpropyl cyanate
TL;DR: 2,2-Dimethylpropyl cyanate (CAS 1459-44-5) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl cyanate
Also Known As: 2,2-dimethylpropyl cyanate, Neopentyl cyanate #, Cyanic acid, neopentyl ester, Cyanicacid2,2-dimethylpropylester, Cyanic acid 2,2-dimethylpropyl ester
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1459-44-5 |
|---|---|
| SMILES | CC(C)(C)COC#N |
| InChIKey | VCXUAVBUVJXKSR-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropyl cyanate (CAS 1459-44-5), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 2,2-dimethylpropyl cyanate.
Chemical Property Profile of 2,2-Dimethylpropyl cyanate
Property Insights of 2,2-Dimethylpropyl cyanate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylpropyl cyanate. With a topological polar surface area (TPSA) of 33.0 Ų, 2,2-Dimethylpropyl cyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropyl cyanate 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 2,2-Dimethylpropyl cyanate?
The CAS number of 2,2-Dimethylpropyl cyanate is 1459-44-5.
What is the molecular formula of 2,2-Dimethylpropyl cyanate?
The molecular formula of 2,2-Dimethylpropyl cyanate is C6H11NO.
What is the molecular weight of 2,2-Dimethylpropyl cyanate?
The molecular weight of 2,2-Dimethylpropyl cyanate is 113.08 g/mol.
Where can I buy 2,2-Dimethylpropyl cyanate?
You can request a quote for 2,2-Dimethylpropyl cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropyl cyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropyl cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.