Ethyl 2-(3,3-diallylureido)acetate
TL;DR: Ethyl 2-(3,3-diallylureido)acetate (CAS 78154-03-7) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(prop-2-enyl)carbamoylamino]acetate
Also Known As: Ethyl 2-(3,3-diallylureido)acetate, ethyl 2-[bis(prop-2-enyl)carbamoylamino]acetate, ETHYL 2-(DIPROP-2-ENYLCARBAMOYLAMINO)ACETATE, ethyl 2-[di(prop-2-enyl)carbamoylamino]acetate, Ethyl N-[di(prop-2-en-1-yl)carbamoyl]glycinate
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 78154-03-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)N(CC=C)CC=C |
| InChIKey | CDXCYGDENJRSMH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3,3-diallylureido)acetate (CAS 78154-03-7), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: ethyl 2-[bis(prop-2-enyl)carbamoylamino]acetate.
Chemical Property Profile of Ethyl 2-(3,3-diallylureido)acetate
Property Insights of Ethyl 2-(3,3-diallylureido)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3,3-diallylureido)acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-(3,3-diallylureido)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3,3-diallylureido)acetate has 1 hydrogen bond donor(s) and 3 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 2-(3,3-diallylureido)acetate?
The CAS number of Ethyl 2-(3,3-diallylureido)acetate is 78154-03-7.
What is the molecular formula of Ethyl 2-(3,3-diallylureido)acetate?
The molecular formula of Ethyl 2-(3,3-diallylureido)acetate is C11H18N2O3.
What is the molecular weight of Ethyl 2-(3,3-diallylureido)acetate?
The molecular weight of Ethyl 2-(3,3-diallylureido)acetate is 226.13 g/mol.
Where can I buy Ethyl 2-(3,3-diallylureido)acetate?
You can request a quote for Ethyl 2-(3,3-diallylureido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3,3-diallylureido)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,3-diallylureido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.