Ethyl 2-isocyano-2-methylpropanoate
TL;DR: Ethyl 2-isocyano-2-methylpropanoate (CAS 70024-28-1) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-isocyano-2-methylpropanoate
Also Known As: ethyl 2-isocyano-2-methylpropanoate, ethyl2-isocyano-2-methylpropanoate, Ethyl 2-isocyano-2-methyl-propanoate, 972-279-5, RefChem:594436
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.24739 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 166.93515 |
Chemical Identifiers
| CAS Number | 70024-28-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)[N+]#[C-] |
Product Overview
Ethyl 2-isocyano-2-methylpropanoate (CAS 70024-28-1), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: ethyl 2-isocyano-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-isocyano-2-methylpropanoate
Property Insights of Ethyl 2-isocyano-2-methylpropanoate
The XLogP value of 1.24739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-isocyano-2-methylpropanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Ethyl 2-isocyano-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-isocyano-2-methylpropanoate 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 Ethyl 2-isocyano-2-methylpropanoate?
The CAS number of Ethyl 2-isocyano-2-methylpropanoate is 70024-28-1.
What is the molecular formula of Ethyl 2-isocyano-2-methylpropanoate?
The molecular formula of Ethyl 2-isocyano-2-methylpropanoate is C7H11NO2.
What is the molecular weight of Ethyl 2-isocyano-2-methylpropanoate?
The molecular weight of Ethyl 2-isocyano-2-methylpropanoate is 141.08 g/mol.
Where can I buy Ethyl 2-isocyano-2-methylpropanoate?
You can request a quote for Ethyl 2-isocyano-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-isocyano-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-isocyano-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.