![Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate structure](/static/products/7018/7018-08-8.webp)
Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate
TL;DR: Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate (CAS 7018-08-8) is a chemical compound with molecular formula C32H30N2O7S and molecular weight 586.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate, METHYL 4-[3-[(3-BUTOXYPHENYL)-HYDROXY-METHYLIDENE]-1-(6-ETHOXYBENZOTHIAZOL-2-YL)-4,5-DIOXO-PYRROLIDIN-2-YL]BENZOATE, methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C32H30N2O7S |
|---|---|
| Molecular Weight | 586.18 g/mol |
| LogP | 6.2868 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.17737 |
| Heavy Atoms | 42 |
| Complexity | 1675.9528 |
Chemical Identifiers
| CAS Number | 7018-08-8 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)C(=O)OC)O |
Product Overview
Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate (CAS 7018-08-8), with molecular formula C32H30N2O7S and molecular weight 586.18 g/mol. IUPAC: methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate
Property Insights of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate
The XLogP value of 6.2868 indicates that Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate?
The CAS number of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate is 7018-08-8.
What is the molecular formula of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate?
The molecular formula of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate is C32H30N2O7S.
What is the molecular weight of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate?
The molecular weight of Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate is 586.18 g/mol.
Where can I buy Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate?
You can request a quote for Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.