5,5,5-trichloropent-2-enyl N,N-diethylcarbamate
TL;DR: 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate (CAS 4950-41-8) is a chemical compound with molecular formula C10H16Cl3NO2 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trichloropent-2-enyl N,N-diethylcarbamate
Also Known As: 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate, [(Z)-5,5,5-trichloropent-2-enyl] N,N-diethylcarbamate
| Molecular Formula | C10H16Cl3NO2 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.02466 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 4950-41-8 |
|---|---|
| SMILES | CCN(CC)C(=O)OCC=CCC(Cl)(Cl)Cl |
| InChIKey | QEZOJYMKRVIRON-UHFFFAOYSA-N |
Product Overview
5,5,5-trichloropent-2-enyl N,N-diethylcarbamate (CAS 4950-41-8), with molecular formula C10H16Cl3NO2 and molecular weight 287.02 g/mol. IUPAC: 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate.
Chemical Property Profile of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate
Property Insights of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate
The XLogP value of 3.5 indicates that 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate 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 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate?
The CAS number of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate is 4950-41-8.
What is the molecular formula of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate?
The molecular formula of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate is C10H16Cl3NO2.
What is the molecular weight of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate?
The molecular weight of 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate is 287.02 g/mol.
Where can I buy 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate?
You can request a quote for 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 5,5,5-trichloropent-2-enyl N,N-diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.