(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate
TL;DR: (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate (CAS 622793-91-3) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
Also Known As: (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate, (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate, [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate, (2-{[4-(tert-butyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yloxy)-N,N-dimet hylcarboxamide
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.6607 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 918.3192 |
Chemical Identifiers
| CAS Number | 622793-91-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)N(C)C |
Product Overview
(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate (CAS 622793-91-3), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate.
Chemical Property Profile of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate
Property Insights of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate
The XLogP value of 4.6607 indicates that (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate 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-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate 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-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate?
The CAS number of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate is 622793-91-3.
What is the molecular formula of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate?
The molecular formula of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate is C22H23NO4.
What is the molecular weight of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate?
The molecular weight of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate is 365.16 g/mol.
Where can I buy (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate?
You can request a quote for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.