Propan-2-yl diethylcarbamate
TL;DR: Propan-2-yl diethylcarbamate (CAS 20028-49-3) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N,N-diethylcarbamate
Also Known As: propan-2-yl diethylcarbamate, Isopropyl diethylcarbamate, isopropyl N,N-diethylcarbamate, propan-2-yl N,N-diethylcarbamate, Carbamic acid,diethyl-, 1-methylethyl ester (9CI)
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 20028-49-3 |
|---|---|
| SMILES | CCN(CC)C(=O)OC(C)C |
| InChIKey | QTIPEBFMDAVRJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl diethylcarbamate (CAS 20028-49-3), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: propan-2-yl N,N-diethylcarbamate.
Chemical Property Profile of Propan-2-yl diethylcarbamate
Property Insights of Propan-2-yl diethylcarbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl diethylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Propan-2-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 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 Propan-2-yl diethylcarbamate?
The CAS number of Propan-2-yl diethylcarbamate is 20028-49-3.
What is the molecular formula of Propan-2-yl diethylcarbamate?
The molecular formula of Propan-2-yl diethylcarbamate is C8H17NO2.
What is the molecular weight of Propan-2-yl diethylcarbamate?
The molecular weight of Propan-2-yl diethylcarbamate is 159.13 g/mol.
Where can I buy Propan-2-yl diethylcarbamate?
You can request a quote for Propan-2-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.