![[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate structure](/static/products/3271/327103-86-6.webp)
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
TL;DR: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate (CAS 327103-86-6) is a chemical compound with molecular formula C22H13NO5S and molecular weight 403.05 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] 2-nitrobenzoate
Also Known As: AE-848/11419113, (Z)-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl 2-nitrobenzoate, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate, 2-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate, 2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 2-nitrobenzoate
| Molecular Formula | C22H13NO5S |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 5.1435 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.05145 |
| Heavy Atoms | 29 |
| Complexity | 1185.08 |
Chemical Identifiers
| CAS Number | 327103-86-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
[2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate (CAS 327103-86-6), with molecular formula C22H13NO5S and molecular weight 403.05 g/mol. IUPAC: [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate.
Chemical Property Profile of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
Property Insights of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate
The XLogP value of 5.1435 indicates that [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-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 [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate. Following Lipinski's Rule of Five, [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-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 [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate?
The CAS number of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate is 327103-86-6.
What is the molecular formula of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate?
The molecular formula of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate is C22H13NO5S.
What is the molecular weight of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate?
The molecular weight of [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate is 403.05 g/mol.
Where can I buy [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate?
You can request a quote for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.