Ethyl diethylcarbamate
TL;DR: Ethyl diethylcarbamate (CAS 3553-80-8) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N-diethylcarbamate
Also Known As: Ethyl diethylcarbamate, Ethyl N,N-diethylcarbamate, Diethyl urethane, ethyldiethylcarbamate, Ethyl=diethylcarbamate
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 3553-80-8 |
|---|---|
| SMILES | CCN(CC)C(=O)OCC |
| InChIKey | VAJCYQHLYBTSHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl diethylcarbamate (CAS 3553-80-8), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: ethyl N,N-diethylcarbamate.
Chemical Property Profile of Ethyl diethylcarbamate
Property Insights of Ethyl diethylcarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl diethylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl diethylcarbamate 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 diethylcarbamate?
The CAS number of Ethyl diethylcarbamate is 3553-80-8.
What is the molecular formula of Ethyl diethylcarbamate?
The molecular formula of Ethyl diethylcarbamate is C7H15NO2.
What is the molecular weight of Ethyl diethylcarbamate?
The molecular weight of Ethyl diethylcarbamate is 145.11 g/mol.
Where can I buy Ethyl diethylcarbamate?
You can request a quote for Ethyl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.