Phenyl diethylcarbamate
TL;DR: Phenyl diethylcarbamate (CAS 84682-19-9) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N,N-diethylcarbamate
Also Known As: Phenyl diethylcarbamate, phenyl N,N-diethylcarbamate, Phenyldiethylcarbamate, Diethyl-carbamic acid phenyl ester, N,N-Diethylphenylcarbamate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 84682-19-9 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC=CC=C1 |
| InChIKey | XOIJDIYJCTXRQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl diethylcarbamate (CAS 84682-19-9), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: phenyl N,N-diethylcarbamate.
Chemical Property Profile of Phenyl diethylcarbamate
Property Insights of Phenyl diethylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl diethylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Phenyl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl diethylcarbamate?
The CAS number of Phenyl diethylcarbamate is 84682-19-9.
What is the molecular formula of Phenyl diethylcarbamate?
The molecular formula of Phenyl diethylcarbamate is C11H15NO2.
What is the molecular weight of Phenyl diethylcarbamate?
The molecular weight of Phenyl diethylcarbamate is 193.11 g/mol.
Where can I buy Phenyl diethylcarbamate?
You can request a quote for Phenyl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.