5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
TL;DR: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one (CAS 618872-76-7) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
Also Known As: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one, AB00394321-05, AB00394321-08, AB00394321-09, F3226-3018
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 618872-76-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)C4=NOC(=C4)C)O |
| InChIKey | UBAYKTVBYHISDG-UHFFFAOYSA-N |
Product Overview
5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one (CAS 618872-76-7), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
Property Insights of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.5 indicates that 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one 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 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one is 618872-76-7.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one is C22H20N2O7.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one is 424.13 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-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 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.