(2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
TL;DR: (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate (CAS 7048-08-0) is a chemical compound with molecular formula C20H19NO4 and molecular weight 337.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
Also Known As: Salicylic acid, thio-, sodium salt, Benzenecarbothioic acid, 2-hydroxy-, sodium salt, (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate, (2-benzylidene-3-oxo-benzofuran-6-yl) N,N-diethylcarbamate, 2-Benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate
| Molecular Formula | C20H19NO4 |
|---|---|
| Molecular Weight | 337.13 g/mol |
| LogP | 4.1434 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1314 |
| Heavy Atoms | 25 |
| Complexity | 822.8447 |
Chemical Identifiers
| CAS Number | 7048-08-0 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3)O2 |
Product Overview
(2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate (CAS 7048-08-0), with molecular formula C20H19NO4 and molecular weight 337.13 g/mol. IUPAC: (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate.
Chemical Property Profile of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
Property Insights of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
The XLogP value of 4.1434 indicates that (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-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, (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-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 (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate?
The CAS number of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate is 7048-08-0.
What is the molecular formula of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate?
The molecular formula of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate is C20H19NO4.
What is the molecular weight of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate?
The molecular weight of (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate is 337.13 g/mol.
Where can I buy (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate?
You can request a quote for (2-benzylidene-3-oxo-1-benzofuran-6-yl) 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 (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.