![methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/6205/620571-02-0.webp)
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 620571-02-0) is a chemical compound with molecular formula C24H18N2O7S and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C24H18N2O7S |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 3.3272 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.08347 |
| Heavy Atoms | 34 |
| Complexity | 1315.5992 |
Chemical Identifiers
| CAS Number | 620571-02-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC=CS5 |
Product Overview
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 620571-02-0), with molecular formula C24H18N2O7S and molecular weight 478.08 g/mol. IUPAC: methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 3.3272 indicates that methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 9 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 methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 620571-02-0.
What is the molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C24H18N2O7S.
What is the molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 478.08 g/mol.
Where can I buy methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-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-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.