![(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one structure](/static/products/116/1164536-56-4.png)
(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
TL;DR: (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one (CAS 1164536-56-4) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-4-ylmethyliminomethyl)-1-benzothiophen-3-ol
Also Known As: BIM-0036257.P001, (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one, (2Z)-2-[(4-pyridylmethylamino)methylene]benzothiophen-3-one, 2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one, 2-{[(4-pyridylmethyl)amino]methylene}benzo[b]thiophen-3-one
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 1164536-56-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NCC3=CC=NC=C3)O |
| InChIKey | NXBQPZFAKSWFHS-UHFFFAOYSA-N |
Product Overview
(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one (CAS 1164536-56-4), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: 2-(pyridin-4-ylmethyliminomethyl)-1-benzothiophen-3-ol.
Chemical Property Profile of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
Property Insights of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
The XLogP value of 3.1 indicates that (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one. Following Lipinski's Rule of Five, (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one has 1 hydrogen bond donor(s) and 4 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 (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one?
The CAS number of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one is 1164536-56-4.
What is the molecular formula of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one?
The molecular formula of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one is C15H12N2OS.
What is the molecular weight of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one?
The molecular weight of (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one is 268.07 g/mol.
Where can I buy (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one?
You can request a quote for (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-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-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.