(2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one
TL;DR: (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one (CAS 1164552-91-3) is a chemical compound with molecular formula C14H9NOS and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3-one
Also Known As: (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one, 2-(3-pyridylmethylene)benzo[b]thiophen-3-one, (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3-one, (Z)-2-(pyridin-3-ylmethylene)benzo[b]thiophen-3(2H)-one, 2-(3-pyridinylmethylene)-1-benzothiophen-3(2H)-one
| Molecular Formula | C14H9NOS |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 3.4111 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.04048 |
| Heavy Atoms | 17 |
| Complexity | 604.6291 |
Chemical Identifiers
| CAS Number | 1164552-91-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C/C3=CN=CC=C3)/S2 |
Product Overview
(2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one (CAS 1164552-91-3), with molecular formula C14H9NOS and molecular weight 239.04 g/mol. IUPAC: (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3-one.
Chemical Property Profile of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one
Property Insights of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one
The XLogP value of 3.4111 indicates that (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one has 0 hydrogen bond donor(s) and 3 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-3-ylmethylidene)-1-benzothiophen-3(2H)-one?
The CAS number of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one is 1164552-91-3.
What is the molecular formula of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one?
The molecular formula of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one is C14H9NOS.
What is the molecular weight of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one?
The molecular weight of (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one is 239.04 g/mol.
Where can I buy (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one?
You can request a quote for (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-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-3-ylmethylidene)-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(pyridin-3-ylmethylidene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.