![(2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one structure](/static/products/116/1164475-51-7.png)
(2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one
TL;DR: (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one (CAS 1164475-51-7) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-1-benzothiophen-3-ol
Also Known As: AE-848/09038061, (Z)-2-(1-(p-tolylamino)ethylidene)benzo[b]thiophen-3(2H)-one, 2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one, 2-[1-(4-toluidino)ethylidene]-1-benzothiophen-3(2H)-one, (2E)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one
| Molecular Formula | C17H15NOS |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 5.05602 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08743 |
| Heavy Atoms | 20 |
| Complexity | 784.36017 |
Chemical Identifiers
| CAS Number | 1164475-51-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C(C)C2=C(C3=CC=CC=C3S2)O |
Product Overview
(2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one (CAS 1164475-51-7), with molecular formula C17H15NOS and molecular weight 281.09 g/mol. IUPAC: 2-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-1-benzothiophen-3-ol.
Chemical Property Profile of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one
Property Insights of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one
The XLogP value of 5.05602 indicates that (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one?
The CAS number of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one is 1164475-51-7.
What is the molecular formula of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one?
The molecular formula of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one is C17H15NOS.
What is the molecular weight of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one?
The molecular weight of (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one is 281.09 g/mol.
Where can I buy (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one?
You can request a quote for (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[1-(4-methylanilino)ethylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.