allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 496772-87-3) is a chemical compound with molecular formula C27H23N3O8S and molecular weight 549.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, allyl 2-[3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C27H23N3O8S |
|---|---|
| Molecular Weight | 549.12 g/mol |
| LogP | 4.64584 |
| Topological Polar Surface Area | 149.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.1206 |
| Heavy Atoms | 39 |
| Complexity | 1558.0538 |
Chemical Identifiers
| CAS Number | 496772-87-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=CC=C4)[N+](=O)[O-])/O)OC |
Product Overview
allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 496772-87-3), with molecular formula C27H23N3O8S and molecular weight 549.12 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.64584 indicates that allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.17 Ų indicates high polarity, suggesting allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 496772-87-3.
What is the molecular formula of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C27H23N3O8S.
What is the molecular weight of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 549.12 g/mol.
Where can I buy allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.