![2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate structure](/static/products/340/340968-24-3.png)
2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate
TL;DR: 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate (CAS 340968-24-3) is a chemical compound with molecular formula C22H14O3S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] benzoate
Also Known As: (Z)-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl benzoate, 2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate, A1878/0079068, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] benzoate, 2-[(Benzo[b]thiophen-3(2H)-on-2-ylidene}methyl]phenyl benzoate
| Molecular Formula | C22H14O3S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 5.2353 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06638 |
| Heavy Atoms | 26 |
| Complexity | 1022.3221 |
Chemical Identifiers
| CAS Number | 340968-24-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C\3/C(=O)C4=CC=CC=C4S3 |
Product Overview
2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate (CAS 340968-24-3), with molecular formula C22H14O3S and molecular weight 358.07 g/mol. IUPAC: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] benzoate.
Chemical Property Profile of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate
Property Insights of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate
The XLogP value of 5.2353 indicates that 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate?
The CAS number of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate is 340968-24-3.
What is the molecular formula of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate?
The molecular formula of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate is C22H14O3S.
What is the molecular weight of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate?
The molecular weight of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate is 358.07 g/mol.
Where can I buy 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate?
You can request a quote for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.