Ethyl N-allylcarbamate
TL;DR: Ethyl N-allylcarbamate (CAS 5325-60-0) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-prop-2-enylcarbamate
Also Known As: allyl urethane, Ethyl allylcarbamate, allylurethan, Ethyl N-allylcarbamate, Ethyl N-allylurethane
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 5325-60-0 |
|---|---|
| SMILES | CCOC(=O)NCC=C |
| InChIKey | AOHHOQCLVBLOHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-allylcarbamate (CAS 5325-60-0), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: ethyl N-prop-2-enylcarbamate.
Chemical Property Profile of Ethyl N-allylcarbamate
Property Insights of Ethyl N-allylcarbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-allylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl N-allylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-allylcarbamate has 1 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-allylcarbamate?
The CAS number of Ethyl N-allylcarbamate is 5325-60-0.
What is the molecular formula of Ethyl N-allylcarbamate?
The molecular formula of Ethyl N-allylcarbamate is C6H11NO2.
What is the molecular weight of Ethyl N-allylcarbamate?
The molecular weight of Ethyl N-allylcarbamate is 129.08 g/mol.
Where can I buy Ethyl N-allylcarbamate?
You can request a quote for Ethyl N-allylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-allylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-allylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.