(2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate
TL;DR: (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate (CAS 327086-39-5) 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.
(2-acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate
Also Known As: (2-acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate, 2-acetyl-1-benzothien-3-yl 2-nitrobenzoate, 2-acetylbenzo[b]thiophen-3-yl 2-nitrobenzoate, 2-acetyl-1-benzothiophen-3-yl 2-nitrobenzoate, AE-848/37018042
| Molecular Formula | C17H11NO5S |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 4.2313 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0358 |
| Heavy Atoms | 24 |
| Complexity | 976.0263 |
Chemical Identifiers
| CAS Number | 327086-39-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate (CAS 327086-39-5), with molecular formula C17H11NO5S and molecular weight 341.04 g/mol. IUPAC: (2-acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate.
Chemical Property Profile of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate
Property Insights of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate
The XLogP value of 4.2313 indicates that (2-Acetyl-1-benzothiophen-3-yl) 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-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate. Following Lipinski's Rule of Five, (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate 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 (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate?
The CAS number of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate is 327086-39-5.
What is the molecular formula of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate?
The molecular formula of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate is C17H11NO5S.
What is the molecular weight of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate?
The molecular weight of (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate is 341.04 g/mol.
Where can I buy (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate?
You can request a quote for (2-Acetyl-1-benzothiophen-3-yl) 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-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyl-1-benzothiophen-3-yl) 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.