tert-Butyl isocyanoacetate
TL;DR: tert-Butyl isocyanoacetate (CAS 2769-72-4) 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.
tert-butyl 2-isocyanoacetate
Also Known As: tert-Butyl isocyanoacetate, Tert-butyl 2-isocyanoacetate, T-butyl isocyanoacetate, tert-butylisocyanoacetate, T-BUTYLISOCYANOACETATE
| 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 | 1 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 161.42537 |
Chemical Identifiers
| CAS Number | 2769-72-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[N+]#[C-] |
Product Overview
tert-Butyl isocyanoacetate (CAS 2769-72-4), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: tert-butyl 2-isocyanoacetate.
Chemical Property Profile of tert-Butyl isocyanoacetate
Property Insights of tert-Butyl isocyanoacetate
The XLogP value of 1.24739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl isocyanoacetate. With a topological polar surface area (TPSA) of 30.66 Ų, tert-Butyl isocyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl isocyanoacetate 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 tert-Butyl isocyanoacetate?
The CAS number of tert-Butyl isocyanoacetate is 2769-72-4.
What is the molecular formula of tert-Butyl isocyanoacetate?
The molecular formula of tert-Butyl isocyanoacetate is C7H11NO2.
What is the molecular weight of tert-Butyl isocyanoacetate?
The molecular weight of tert-Butyl isocyanoacetate is 141.08 g/mol.
Where can I buy tert-Butyl isocyanoacetate?
You can request a quote for tert-Butyl isocyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl isocyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl isocyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.