![methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate structure](/static/products/7018/7018-26-0.webp)
methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
TL;DR: methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 7018-26-0) is a chemical compound with molecular formula C30H25FN2O6S and molecular weight 560.14 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-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C30H25FN2O6S |
|---|---|
| Molecular Weight | 560.14 g/mol |
| LogP | 6.0272 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.1417 |
| Heavy Atoms | 40 |
| Complexity | 1645.7234 |
Chemical Identifiers
| CAS Number | 7018-26-0 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC)O |
Product Overview
methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 7018-26-0), with molecular formula C30H25FN2O6S and molecular weight 560.14 g/mol. IUPAC: methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Property Insights of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
The XLogP value of 6.0272 indicates that methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-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 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate has 1 hydrogen bond donor(s) and 8 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)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The CAS number of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate is 7018-26-0.
What is the molecular formula of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular formula of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate is C30H25FN2O6S.
What is the molecular weight of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular weight of methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate is 560.14 g/mol.
Where can I buy methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate?
You can request a quote for methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-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)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-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.