Ethyl diisopropylcarbamate
TL;DR: Ethyl diisopropylcarbamate (CAS 20652-39-5) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N-di(propan-2-yl)carbamate
Also Known As: Ethyl diisopropylcarbamate, Diisopropyl ethyl carbamate, Ethyl N,N-diisopropylcarbamate, Ethyl=diisopropylcarbamate, N,N-Diisopropyl ethyl carbamate
| Molecular Formula | C9H19NO2 |
|---|---|
| Molecular Weight | 173.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.14159 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 20652-39-5 |
|---|---|
| SMILES | CCOC(=O)N(C(C)C)C(C)C |
| InChIKey | LRJHYQLNLMGEPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl diisopropylcarbamate (CAS 20652-39-5), with molecular formula C9H19NO2 and molecular weight 173.14 g/mol. IUPAC: ethyl N,N-di(propan-2-yl)carbamate.
Chemical Property Profile of Ethyl diisopropylcarbamate
Property Insights of Ethyl diisopropylcarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl diisopropylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl diisopropylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl diisopropylcarbamate 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 diisopropylcarbamate?
The CAS number of Ethyl diisopropylcarbamate is 20652-39-5.
What is the molecular formula of Ethyl diisopropylcarbamate?
The molecular formula of Ethyl diisopropylcarbamate is C9H19NO2.
What is the molecular weight of Ethyl diisopropylcarbamate?
The molecular weight of Ethyl diisopropylcarbamate is 173.14 g/mol.
Where can I buy Ethyl diisopropylcarbamate?
You can request a quote for Ethyl diisopropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl diisopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl diisopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.