Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate
TL;DR: Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate (CAS 71841-80-0) 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 N-(2-hydroxy-3-oxocyclohexylidene)carbamate
Also Known As: ethyl N-(2-hydroxy-3-oxocyclohexylidene)carbamate, ETHYL (NE)-N-(2-HYDROXY-3-OXO-CYCLOHEXYLIDENE)CARBAMATE, ethyl (NZ)-N-(2-hydroxy-3-oxocyclohexylidene)carbamate
| Molecular Formula | C9H13NO4 |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.08446 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 71841-80-0 |
|---|---|
| SMILES | CCOC(=O)N=C1CCCC(=O)C1O |
| InChIKey | CRMJAPOURMLAGU-UHFFFAOYSA-N |
Product Overview
Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate (CAS 71841-80-0), with molecular formula C9H13NO4 and molecular weight 199.08 g/mol. IUPAC: ethyl N-(2-hydroxy-3-oxocyclohexylidene)carbamate.
Chemical Property Profile of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate
Property Insights of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate. Following Lipinski's Rule of Five, Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate has 1 hydrogen bond donor(s) and 4 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 (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate?
The CAS number of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate is 71841-80-0.
What is the molecular formula of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate?
The molecular formula of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate is C9H13NO4.
What is the molecular weight of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate?
The molecular weight of Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate is 199.08 g/mol.
Where can I buy Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate?
You can request a quote for Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (NE)-N-(2-hydroxy-3-oxo-cyclohexylidene)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.