![2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one structure](/static/products/312/312939-21-2.png)
2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one
TL;DR: 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one (CAS 312939-21-2) is a chemical compound with molecular formula C16H19NOS and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-cyclohexyl-C-methylcarbonimidoyl)-1-benzothiophen-3-ol
Also Known As: ChemDiv1_004500, 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one, AE-848/09038060, 2-[(cyclohexylamino)ethylidene]benzo[b]thiophen-3-one, (Z)-2-(1-(cyclohexylamino)ethylidene)benzo[b]thiophen-3(2H)-one
| Molecular Formula | C16H19NOS |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 4.7486 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.11874 |
| Heavy Atoms | 19 |
| Complexity | 608.2365 |
Chemical Identifiers
| CAS Number | 312939-21-2 |
|---|---|
| SMILES | CC(=NC1CCCCC1)C2=C(C3=CC=CC=C3S2)O |
Product Overview
2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one (CAS 312939-21-2), with molecular formula C16H19NOS and molecular weight 273.12 g/mol. IUPAC: 2-(N-cyclohexyl-C-methylcarbonimidoyl)-1-benzothiophen-3-ol.
Chemical Property Profile of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one
Property Insights of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one
The XLogP value of 4.7486 indicates that 2-[1-(cyclohexylamino)ethylidene]-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 32.59 Ų, 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one has 1 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 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one?
The CAS number of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one is 312939-21-2.
What is the molecular formula of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one?
The molecular formula of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one is C16H19NOS.
What is the molecular weight of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one?
The molecular weight of 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one is 273.12 g/mol.
Where can I buy 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one?
You can request a quote for 2-[1-(cyclohexylamino)ethylidene]-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 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(cyclohexylamino)ethylidene]-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.