![2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate structure](/static/products/634/634593-57-0.png)
2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
TL;DR: 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate (CAS 634593-57-0) is a chemical compound with molecular formula C23H16O4S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-methoxybenzoate
Also Known As: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-methoxybenzoate|(E)-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 4-methoxybenzoate|2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
| Molecular Formula | C23H16O4S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 5.2439 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.07693 |
| Heavy Atoms | 28 |
| Complexity | 1083.7662 |
Chemical Identifiers
| CAS Number | 634593-57-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2/C=C/3\C(=O)C4=CC=CC=C4S3 |
Product Overview
2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate (CAS 634593-57-0), with molecular formula C23H16O4S and molecular weight 388.08 g/mol. IUPAC: [2-[(E)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
Property Insights of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate
The XLogP value of 5.2439 indicates that 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate?
The CAS number of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate is 634593-57-0.
What is the molecular formula of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate?
The molecular formula of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate is C23H16O4S.
What is the molecular weight of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate?
The molecular weight of 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate is 388.08 g/mol.
Where can I buy 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate?
You can request a quote for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.