![Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- structure](/static/products/6212/62127-98-4.webp)
Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-
TL;DR: Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- (CAS 62127-98-4) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]ethanone
Also Known As: BAS 00548753, Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-, 1-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]ethanone, 1-(4-{[(5-nitro-2-thienyl)methylene]amino}phenyl)ethanone, 4-[(1E)-2-(5-nitro(2-thienyl))-1-azavinyl]-1-acetylbenzene
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 62127-98-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | SDQPEVPMZCICME-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- (CAS 62127-98-4), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: 1-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]ethanone.
Chemical Property Profile of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-
Property Insights of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-
The XLogP value of 3.1 indicates that Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-. Following Lipinski's Rule of Five, Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- has 0 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 Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-?
The CAS number of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- is 62127-98-4.
What is the molecular formula of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-?
The molecular formula of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- is C13H10N2O3S.
What is the molecular weight of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-?
The molecular weight of Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- is 274.04 g/mol.
Where can I buy Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-?
You can request a quote for Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-[4-[[(5-nitro-2-thienyl)methylene]amino]phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.