![ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate structure](/static/products/3391/339114-59-9.webp)
ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate
TL;DR: ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate (CAS 339114-59-9) is a chemical compound with molecular formula C18H15NO3S and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-hydroxy-2-benzothiophen-1-yl)methylideneamino]benzoate
Also Known As: ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate, 9K-007, ethyl 3-[(3-hydroxy-2-benzothiophen-1-yl)methylideneamino]benzoate, ethyl 3-({[(1Z)-3-oxo-1,3-dihydro-2-benzothiophen-1-ylidene]methyl}amino)benzoate, ethyl 3-[[(Z)-(3-oxo-2-benzothiophen-1-ylidene)methyl]amino]benzoate
| Molecular Formula | C18H15NO3S |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 4.5342 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.07727 |
| Heavy Atoms | 23 |
| Complexity | 882.859 |
Chemical Identifiers
| CAS Number | 339114-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N=CC2=C3C=CC=CC3=C(S2)O |
Product Overview
ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate (CAS 339114-59-9), with molecular formula C18H15NO3S and molecular weight 325.08 g/mol. IUPAC: ethyl 3-[(3-hydroxy-2-benzothiophen-1-yl)methylideneamino]benzoate.
Chemical Property Profile of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate
Property Insights of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate
The XLogP value of 4.5342 indicates that ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate has 1 hydrogen bond donor(s) and 5 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 ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate?
The CAS number of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate is 339114-59-9.
What is the molecular formula of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate?
The molecular formula of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate is C18H15NO3S.
What is the molecular weight of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate?
The molecular weight of ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate is 325.08 g/mol.
Where can I buy ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate?
You can request a quote for ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[3-oxo-2-benzothiophen-1(3H)-yliden]methyl}amino)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.