Ethyl 1-isocyanocyclohexanecarboxylate
TL;DR: Ethyl 1-isocyanocyclohexanecarboxylate (CAS 97846-69-0) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-isocyanocyclohexane-1-carboxylate
Also Known As: ethyl 1-isocyanocyclohexanecarboxylate, Ethyl 1-isocyanocyclohexane-1-carboxylate, ethyl1-isocyanocyclohexanecarboxylate, Cyclohexanecarboxylic acid, 1-isocyano-, ethyl ester, 1-(ETHOXYCARBONYL)-1-ISOCYANOCYCLOHEXANE
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.17169 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 223.56947 |
Chemical Identifiers
| CAS Number | 97846-69-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1)[N+]#[C-] |
Product Overview
Ethyl 1-isocyanocyclohexanecarboxylate (CAS 97846-69-0), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 1-isocyanocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 1-isocyanocyclohexanecarboxylate
Property Insights of Ethyl 1-isocyanocyclohexanecarboxylate
The XLogP value of 2.17169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-isocyanocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 30.66 Ų, Ethyl 1-isocyanocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-isocyanocyclohexanecarboxylate 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 1-isocyanocyclohexanecarboxylate?
The CAS number of Ethyl 1-isocyanocyclohexanecarboxylate is 97846-69-0.
What is the molecular formula of Ethyl 1-isocyanocyclohexanecarboxylate?
The molecular formula of Ethyl 1-isocyanocyclohexanecarboxylate is C10H15NO2.
What is the molecular weight of Ethyl 1-isocyanocyclohexanecarboxylate?
The molecular weight of Ethyl 1-isocyanocyclohexanecarboxylate is 181.11 g/mol.
Where can I buy Ethyl 1-isocyanocyclohexanecarboxylate?
You can request a quote for Ethyl 1-isocyanocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-isocyanocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-isocyanocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.