Ethyl 5-(isocyanomethyl)furan-2-carboxylate
TL;DR: Ethyl 5-(isocyanomethyl)furan-2-carboxylate (CAS 602268-93-9) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(isocyanomethyl)furan-2-carboxylate
Also Known As: Ethyl 5-(isocyanomethyl)furan-2-carboxylate, 2-Furancarboxylicacid,5-(isocyanomethyl)-,ethylester(9CI), 2-Furancarboxylic acid, 5-(isocyanomethyl)-, ethyl ester (9CI)
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.87559 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 334.87418 |
Chemical Identifiers
| CAS Number | 602268-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)C[N+]#[C-] |
Product Overview
Ethyl 5-(isocyanomethyl)furan-2-carboxylate (CAS 602268-93-9), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: ethyl 5-(isocyanomethyl)furan-2-carboxylate.
Chemical Property Profile of Ethyl 5-(isocyanomethyl)furan-2-carboxylate
Property Insights of Ethyl 5-(isocyanomethyl)furan-2-carboxylate
The XLogP value of 1.87559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(isocyanomethyl)furan-2-carboxylate. With a topological polar surface area (TPSA) of 43.8 Ų, Ethyl 5-(isocyanomethyl)furan-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(isocyanomethyl)furan-2-carboxylate has 0 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 Ethyl 5-(isocyanomethyl)furan-2-carboxylate?
The CAS number of Ethyl 5-(isocyanomethyl)furan-2-carboxylate is 602268-93-9.
What is the molecular formula of Ethyl 5-(isocyanomethyl)furan-2-carboxylate?
The molecular formula of Ethyl 5-(isocyanomethyl)furan-2-carboxylate is C9H9NO3.
What is the molecular weight of Ethyl 5-(isocyanomethyl)furan-2-carboxylate?
The molecular weight of Ethyl 5-(isocyanomethyl)furan-2-carboxylate is 179.06 g/mol.
Where can I buy Ethyl 5-(isocyanomethyl)furan-2-carboxylate?
You can request a quote for Ethyl 5-(isocyanomethyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(isocyanomethyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(isocyanomethyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.