二烯丙基氨基甲酸乙酯
TL;DR: 二烯丙基氨基甲酸乙酯 (CAS 60728-51-0) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二烯丙基氨基甲酸乙酯
ethyl N,N-bis(prop-2-enyl)carbamate
Also Known As: Carbamic acid, diallyl-, ethyl ester, Diallylcarbamic acid ethyl ester, ethyl N,N-bis(prop-2-enyl)carbamate, Ethyl di(prop-2-en-1-yl)carbamate, Bis(2-propenyl)carbamic acid ethyl ester
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 60728-51-0 |
|---|---|
| SMILES | CCOC(=O)N(CC=C)CC=C |
| InChIKey | LLIYQUNCTVDYMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二烯丙基氨基甲酸乙酯 (CAS 60728-51-0), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: ethyl N,N-bis(prop-2-enyl)carbamate.
Chemical Property Profile of 二烯丙基氨基甲酸乙酯
Property Insights of 二烯丙基氨基甲酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二烯丙基氨基甲酸乙酯. With a topological polar surface area (TPSA) of 29.5 Ų, 二烯丙基氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二烯丙基氨基甲酸乙酯 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 二烯丙基氨基甲酸乙酯?
The CAS number of 二烯丙基氨基甲酸乙酯 is 60728-51-0.
What is the molecular formula of 二烯丙基氨基甲酸乙酯?
The molecular formula of 二烯丙基氨基甲酸乙酯 is C9H15NO2.
What is the molecular weight of 二烯丙基氨基甲酸乙酯?
The molecular weight of 二烯丙基氨基甲酸乙酯 is 169.11 g/mol.
Where can I buy 二烯丙基氨基甲酸乙酯?
You can request a quote for 二烯丙基氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二烯丙基氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 二烯丙基氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.