1-(5-Anilino-4-nitrothiophen-2-yl)ethanone
TL;DR: 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone (CAS 1087-13-4) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-anilino-4-nitrothiophen-2-yl)ethanone
Also Known As: 5-acetyl-2-phenylamino-3-nitrothiophene, 1-(5-anilino-4-nitrothiophen-2-yl)ethanone, 1-(5-anilino-4-nitro-thiophen-2-yl)ethanone
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 3.6025 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 592.62494 |
Chemical Identifiers
| CAS Number | 1087-13-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(S1)NC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1-(5-Anilino-4-nitrothiophen-2-yl)ethanone (CAS 1087-13-4), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 1-(5-anilino-4-nitrothiophen-2-yl)ethanone.
Chemical Property Profile of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone
Property Insights of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone
The XLogP value of 3.6025 indicates that 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone. Following Lipinski's Rule of Five, 1-(5-Anilino-4-nitrothiophen-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-(5-Anilino-4-nitrothiophen-2-yl)ethanone?
The CAS number of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone is 1087-13-4.
What is the molecular formula of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone?
The molecular formula of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone is C12H10N2O3S.
What is the molecular weight of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone?
The molecular weight of 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone is 262.04 g/mol.
Where can I buy 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone?
You can request a quote for 1-(5-Anilino-4-nitrothiophen-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-(5-Anilino-4-nitrothiophen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Anilino-4-nitrothiophen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.