methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 893699-04-2) is a chemical compound with molecular formula C25H20N2O6S and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C25H20N2O6S |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 3.8794 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.10422 |
| Heavy Atoms | 34 |
| Complexity | 1329.9456 |
Chemical Identifiers
| CAS Number | 893699-04-2 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC=CS4)C5=CC=C(C=C5)C(=O)OC)/O |
Product Overview
methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 893699-04-2), with molecular formula C25H20N2O6S and molecular weight 476.10 g/mol. IUPAC: methyl 4-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.8794 indicates that methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(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 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 8 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-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 893699-04-2.
What is the molecular formula of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C25H20N2O6S.
What is the molecular weight of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 476.10 g/mol.
Where can I buy methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(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-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-1-(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.