![[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate structure](/static/products/3740/374084-03-4.webp)
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate
TL;DR: [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate (CAS 374084-03-4) is a chemical compound with molecular formula C23H15NO5S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate
Also Known As: BIM-0036162.P001, (Z)-4-methyl-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 4-nitrobenzoate, [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate, 4-methyl-2-[(3-oxobenzo[b]thiophen-2-ylidene)methyl]phenyl 4-nitrobenzoate, 4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 4-nitrobenzoate
| Molecular Formula | C23H15NO5S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 5.45192 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.0671 |
| Heavy Atoms | 30 |
| Complexity | 1214.5181 |
Chemical Identifiers
| CAS Number | 374084-03-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=C\3/C(=O)C4=CC=CC=C4S3 |
Product Overview
[4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate (CAS 374084-03-4), with molecular formula C23H15NO5S and molecular weight 417.07 g/mol. IUPAC: [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate.
Chemical Property Profile of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate
Property Insights of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate
The XLogP value of 5.45192 indicates that [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate. Following Lipinski's Rule of Five, [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate?
The CAS number of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate is 374084-03-4.
What is the molecular formula of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate?
The molecular formula of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate is C23H15NO5S.
What is the molecular weight of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate?
The molecular weight of [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate is 417.07 g/mol.
Where can I buy [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate?
You can request a quote for [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-methyl-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.