Ethyl-(1-isocyanocyclopropyl)-carboxylate
TL;DR: Ethyl-(1-isocyanocyclopropyl)-carboxylate (CAS 32941-99-4) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-isocyanocyclopropane-1-carboxylate
Also Known As: ethyl 1-isocyanocyclopropanecarboxylate, ethyl 1-isocyanocyclopropane-1-carboxylate, Ethyl-(1-isocyanocyclopropyl)-carboxylate, NCI60_027833, J2.424.589F
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 32941-99-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC1)[N+]#[C-] |
| InChIKey | AGOFNLJNXSXUEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-(1-isocyanocyclopropyl)-carboxylate (CAS 32941-99-4), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: ethyl 1-isocyanocyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl-(1-isocyanocyclopropyl)-carboxylate
Property Insights of Ethyl-(1-isocyanocyclopropyl)-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-(1-isocyanocyclopropyl)-carboxylate. With a topological polar surface area (TPSA) of 30.7 Ų, Ethyl-(1-isocyanocyclopropyl)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-(1-isocyanocyclopropyl)-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-(1-isocyanocyclopropyl)-carboxylate?
The CAS number of Ethyl-(1-isocyanocyclopropyl)-carboxylate is 32941-99-4.
What is the molecular formula of Ethyl-(1-isocyanocyclopropyl)-carboxylate?
The molecular formula of Ethyl-(1-isocyanocyclopropyl)-carboxylate is C7H9NO2.
What is the molecular weight of Ethyl-(1-isocyanocyclopropyl)-carboxylate?
The molecular weight of Ethyl-(1-isocyanocyclopropyl)-carboxylate is 139.06 g/mol.
Where can I buy Ethyl-(1-isocyanocyclopropyl)-carboxylate?
You can request a quote for Ethyl-(1-isocyanocyclopropyl)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-(1-isocyanocyclopropyl)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-(1-isocyanocyclopropyl)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.