5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one (CAS 618873-33-9) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, F3226-0899, 3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-[3-(prop-2-en-1-yloxy)phenyl]-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one, 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.39222 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1146.0067 |
Chemical Identifiers
| CAS Number | 618873-33-9 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OCC=C |
Product Overview
5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one (CAS 618873-33-9), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: 4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.39222 indicates that 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 7 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 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is 618873-33-9.
What is the molecular formula of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is C22H18N2O5S.
What is the molecular weight of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is 422.09 g/mol.
Where can I buy 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-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 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(allyloxy)phenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.