1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone
TL;DR: 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone (CAS 52673-89-9) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-4-nitro-1-benzothiophen-2-yl)ethanone
Also Known As: 1-{3-amino-4-nitro-1-benzothien-2-yl}ethanone, 1-(3-amino-4-nitro-1-benzothiophen-2-yl)ethanone, AA-516/30040049
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.5943 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 603.3751 |
Chemical Identifiers
| CAS Number | 52673-89-9 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C(C=CC=C2S1)[N+](=O)[O-])N |
Product Overview
1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone (CAS 52673-89-9), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 1-(3-amino-4-nitro-1-benzothiophen-2-yl)ethanone.
Chemical Property Profile of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone
Property Insights of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone
The XLogP value of 2.5943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone. Following Lipinski's Rule of Five, 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone has 1 hydrogen bond donor(s) and 5 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 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone?
The CAS number of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone is 52673-89-9.
What is the molecular formula of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone?
The molecular formula of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone is C10H8N2O3S.
What is the molecular weight of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone?
The molecular weight of 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone is 236.03 g/mol.
Where can I buy 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone?
You can request a quote for 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-Amino-4-nitro-1-benzothien-2-yl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.