![2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one structure](/static/products/329/329213-91-4.png)
2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one
TL;DR: 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one (CAS 329213-91-4) is a chemical compound with molecular formula C15H19NO2S and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butyliminomethyl)-5-ethoxy-1-benzothiophen-3-ol
Also Known As: 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one, 2-(butyliminomethyl)-5-ethoxy-1-benzothiophen-3-ol, 2-(butylaminomethylidene)-5-ethoxy-1-benzothiophen-3-one, 2-[(butylamino)methylene]-5-ethoxybenzo[b]thiophen-3-one, (2E)-2-(butylaminomethylidene)-5-ethoxy-1-benzothiophen-3-one
| Molecular Formula | C15H19NO2S |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 4.2246 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.11365 |
| Heavy Atoms | 19 |
| Complexity | 574.7744 |
Chemical Identifiers
| CAS Number | 329213-91-4 |
|---|---|
| SMILES | CCCCN=CC1=C(C2=C(S1)C=CC(=C2)OCC)O |
Product Overview
2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one (CAS 329213-91-4), with molecular formula C15H19NO2S and molecular weight 277.11 g/mol. IUPAC: 2-(butyliminomethyl)-5-ethoxy-1-benzothiophen-3-ol.
Chemical Property Profile of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one
Property Insights of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one
The XLogP value of 4.2246 indicates that 2-[(butylamino)methylene]-5-ethoxy-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 41.82 Ų, 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-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 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one?
The CAS number of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one is 329213-91-4.
What is the molecular formula of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one?
The molecular formula of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one is C15H19NO2S.
What is the molecular weight of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one?
The molecular weight of 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one is 277.11 g/mol.
Where can I buy 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one?
You can request a quote for 2-[(butylamino)methylene]-5-ethoxy-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-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(butylamino)methylene]-5-ethoxy-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.