4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 609795-69-9) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one, 4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 5.77512 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 1246.1906 |
Chemical Identifiers
| CAS Number | 609795-69-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)C(C)C)O |
Product Overview
4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 609795-69-9), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: 4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.77512 indicates that 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one 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 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 609795-69-9.
What is the molecular formula of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is C27H29N3O4S.
What is the molecular weight of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 491.19 g/mol.
Where can I buy 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Butoxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.