Diethyl-carbamic acid but-2-enyl ester
TL;DR: Diethyl-carbamic acid but-2-enyl ester (CAS 74562-20-2) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-but-2-enyl] N,N-diethylcarbamate
Also Known As: But-2-enyl N,N-diethylcarbamate, (2E)-2-butenyl diethylcarbamate, diethyl-carbamic acid but-2-enyl ester, (E)-But-2-en-1-yl diethylcarbamate, [(E)-but-2-enyl] N,N-diethylcarbamate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 2.0409 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 150.60753 |
Chemical Identifiers
| CAS Number | 74562-20-2 |
|---|---|
| SMILES | CCN(CC)C(=O)OC/C=C/C |
Product Overview
Diethyl-carbamic acid but-2-enyl ester (CAS 74562-20-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: [(E)-but-2-enyl] N,N-diethylcarbamate.
Chemical Property Profile of Diethyl-carbamic acid but-2-enyl ester
Property Insights of Diethyl-carbamic acid but-2-enyl ester
The XLogP value of 2.0409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl-carbamic acid but-2-enyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, Diethyl-carbamic acid but-2-enyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-carbamic acid but-2-enyl ester 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 Diethyl-carbamic acid but-2-enyl ester?
The CAS number of Diethyl-carbamic acid but-2-enyl ester is 74562-20-2.
What is the molecular formula of Diethyl-carbamic acid but-2-enyl ester?
The molecular formula of Diethyl-carbamic acid but-2-enyl ester is C9H17NO2.
What is the molecular weight of Diethyl-carbamic acid but-2-enyl ester?
The molecular weight of Diethyl-carbamic acid but-2-enyl ester is 171.13 g/mol.
Where can I buy Diethyl-carbamic acid but-2-enyl ester?
You can request a quote for Diethyl-carbamic acid but-2-enyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-carbamic acid but-2-enyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-carbamic acid but-2-enyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.