ethyl N-(3-oxobutanoyl)carbamate
TL;DR: ethyl N-(3-oxobutanoyl)carbamate (CAS 7190-58-1) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-oxobutanoyl)carbamate
Also Known As: ethyl N-(3-oxobutanoyl)carbamate, acetoacetylurethane, Ethyl (3-oxobutanoyl)carbamate, Ethyl acetoacetylcarbamate, ethyl N-acetoacetylcarbamate
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 7190-58-1 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CC(=O)C |
| InChIKey | KTKYFDJHFHNAOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl N-(3-oxobutanoyl)carbamate (CAS 7190-58-1), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: ethyl N-(3-oxobutanoyl)carbamate.
Chemical Property Profile of ethyl N-(3-oxobutanoyl)carbamate
Property Insights of ethyl N-(3-oxobutanoyl)carbamate
The XLogP value of -0.1 indicates that ethyl N-(3-oxobutanoyl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-oxobutanoyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-oxobutanoyl)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 N-(3-oxobutanoyl)carbamate?
The CAS number of ethyl N-(3-oxobutanoyl)carbamate is 7190-58-1.
What is the molecular formula of ethyl N-(3-oxobutanoyl)carbamate?
The molecular formula of ethyl N-(3-oxobutanoyl)carbamate is C7H11NO4.
What is the molecular weight of ethyl N-(3-oxobutanoyl)carbamate?
The molecular weight of ethyl N-(3-oxobutanoyl)carbamate is 173.07 g/mol.
Where can I buy ethyl N-(3-oxobutanoyl)carbamate?
You can request a quote for ethyl N-(3-oxobutanoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3-oxobutanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-oxobutanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.