![2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate structure](/static/products/312/312939-19-8.png)
2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
TL;DR: 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate (CAS 312939-19-8) is a chemical compound with molecular formula C25H20O6S and molecular weight 448.10 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] 3,4,5-trimethoxybenzoate
Also Known As: BAS 02054901, (Z)-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 3,4,5-trimethoxybenzoate, 2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate, 2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C25H20O6S |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 5.2611 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.09805 |
| Heavy Atoms | 32 |
| Complexity | 1205.6018 |
Chemical Identifiers
| CAS Number | 312939-19-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)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 3,4,5-trimethoxybenzoate (CAS 312939-19-8), with molecular formula C25H20O6S and molecular weight 448.10 g/mol. IUPAC: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
Property Insights of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
The XLogP value of 5.2611 indicates that 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 3,4,5-trimethoxybenzoate?
The CAS number of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate is 312939-19-8.
What is the molecular formula of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate is C25H20O6S.
What is the molecular weight of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate is 448.10 g/mol.
Where can I buy 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate 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 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.