Ethyl 1-nitroso-2-oxocyclohexanecarboxylate
TL;DR: Ethyl 1-nitroso-2-oxocyclohexanecarboxylate (CAS 38104-99-3) is a chemical compound with molecular formula C9H13NO4 and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-nitroso-2-oxocyclohexane-1-carboxylate
Also Known As: Ethyl 1-nitroso-2-oxocyclohexanecarboxylate, ethyl 1-nitroso-2-oxocyclohexane-1-carboxylate, ethyl 1-nitroso-2-oxo-cyclohexanecarboxylate, ethyl 1-nitroso-2-oxo-cyclohexane-1-carboxylate, Ethyl-(1-nitroso-2-oxocyclohexan-2-carboxylat)
| Molecular Formula | C9H13NO4 |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.08446 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 38104-99-3 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)N=O |
| InChIKey | ROORNIUQNFGEKJ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-nitroso-2-oxocyclohexanecarboxylate (CAS 38104-99-3), with molecular formula C9H13NO4 and molecular weight 199.08 g/mol. IUPAC: ethyl 1-nitroso-2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate
Property Insights of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-nitroso-2-oxocyclohexanecarboxylate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-nitroso-2-oxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-nitroso-2-oxocyclohexanecarboxylate has 0 hydrogen bond donor(s) and 5 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-nitroso-2-oxocyclohexanecarboxylate?
The CAS number of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate is 38104-99-3.
What is the molecular formula of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate?
The molecular formula of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate is C9H13NO4.
What is the molecular weight of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate?
The molecular weight of Ethyl 1-nitroso-2-oxocyclohexanecarboxylate is 199.08 g/mol.
Where can I buy Ethyl 1-nitroso-2-oxocyclohexanecarboxylate?
You can request a quote for Ethyl 1-nitroso-2-oxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-nitroso-2-oxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-nitroso-2-oxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.