Ethyl N-allyl-N-phenylcarbamate
TL;DR: Ethyl N-allyl-N-phenylcarbamate (CAS 7451-54-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-phenyl-N-prop-2-enylcarbamate
Also Known As: 4-cyclohexyloxan-2-one, ethyl allyl(phenyl)carbamate, Ethyl N-allyl-N-phenylcarbamate, ethyl N-phenyl-N-prop-2-enylcarbamate, Ethyl phenyl(prop-2-en-1-yl)carbamate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 7451-54-9 |
|---|---|
| SMILES | CCOC(=O)N(CC=C)C1=CC=CC=C1 |
| InChIKey | IISQJHJPPWOHAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-allyl-N-phenylcarbamate (CAS 7451-54-9), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: ethyl N-phenyl-N-prop-2-enylcarbamate.
Chemical Property Profile of Ethyl N-allyl-N-phenylcarbamate
Property Insights of Ethyl N-allyl-N-phenylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-allyl-N-phenylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl N-allyl-N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-allyl-N-phenylcarbamate 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 N-allyl-N-phenylcarbamate?
The CAS number of Ethyl N-allyl-N-phenylcarbamate is 7451-54-9.
What is the molecular formula of Ethyl N-allyl-N-phenylcarbamate?
The molecular formula of Ethyl N-allyl-N-phenylcarbamate is C12H15NO2.
What is the molecular weight of Ethyl N-allyl-N-phenylcarbamate?
The molecular weight of Ethyl N-allyl-N-phenylcarbamate is 205.11 g/mol.
Where can I buy Ethyl N-allyl-N-phenylcarbamate?
You can request a quote for Ethyl N-allyl-N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-allyl-N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-allyl-N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.