![(Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate structure](/static/products/312/312939-20-1.png)
(Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate
TL;DR: (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate (CAS 312939-20-1) is a chemical compound with molecular formula C17H11NO5S and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-nitro-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate
Also Known As: (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate, [4-nitro-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate, 4-nitro-2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl acetate, 4-NITRO-2-{[(2Z)-3-OXO-2,3-DIHYDRO-1-BENZOTHIOPHEN-2-YLIDENE]METHYL}PHENYL ACETATE
| Molecular Formula | C17H11NO5S |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0358 |
| Heavy Atoms | 24 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 312939-20-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])/C=C\2/C(=O)C3=CC=CC=C3S2 |
| InChIKey | JIURJIDKDBJSPL-SXGWCWSVSA-N |
Product Overview
(Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate (CAS 312939-20-1), with molecular formula C17H11NO5S and molecular weight 341.04 g/mol. IUPAC: [4-nitro-2-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate
Property Insights of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate
The XLogP value of 3.7 indicates that (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate. Following Lipinski's Rule of Five, (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate?
The CAS number of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate is 312939-20-1.
What is the molecular formula of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate?
The molecular formula of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate is C17H11NO5S.
What is the molecular weight of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate?
The molecular weight of (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate is 341.04 g/mol.
Where can I buy (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate?
You can request a quote for (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-nitro-2-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.