![methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate structure](/static/products/514/514193-72-7.png)
methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 514193-72-7) is a chemical compound with molecular formula C29H24N2O5S and molecular weight 512.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate, methyl 4-{1-(4,6-dimethylbenzothiazol-2-yl)-4-hydroxy-3-[(4-methylphenyl)carbo nyl]-5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C29H24N2O5S |
|---|---|
| Molecular Weight | 512.14 g/mol |
| LogP | 5.63446 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.14056 |
| Heavy Atoms | 37 |
| Complexity | 1600.0697 |
Chemical Identifiers
| CAS Number | 514193-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC4=C(C=C(C=C4S3)C)C)C5=CC=C(C=C5)C(=O)OC)/O |
Product Overview
methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 514193-72-7), with molecular formula C29H24N2O5S and molecular weight 512.14 g/mol. IUPAC: methyl 4-[(3E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 5.63446 indicates that methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 7 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-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 514193-72-7.
What is the molecular formula of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C29H24N2O5S.
What is the molecular weight of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 512.14 g/mol.
Where can I buy methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-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-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-(4,6-dimethylbenzo[d]thiazol-2-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.