(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate
TL;DR: (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate (CAS 622796-77-4) is a chemical compound with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate
Also Known As: AO-022/42313192, (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate, (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate, [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate, {2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}-N,N-diethylcarbo xamide
| Molecular Formula | C20H18BrNO4 |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 4.9059 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.04193 |
| Heavy Atoms | 26 |
| Complexity | 887.12994 |
Chemical Identifiers
| CAS Number | 622796-77-4 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)Br)/O2 |
Product Overview
(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate (CAS 622796-77-4), with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol. IUPAC: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate.
Chemical Property Profile of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate
Property Insights of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate
The XLogP value of 4.9059 indicates that (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate has 0 hydrogen bond donor(s) and 4 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 (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate?
The CAS number of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate is 622796-77-4.
What is the molecular formula of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate?
The molecular formula of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate is C20H18BrNO4.
What is the molecular weight of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate?
The molecular weight of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate is 415.04 g/mol.
Where can I buy (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate?
You can request a quote for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.