4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one (CAS 618855-80-4) is a chemical compound with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one, 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C22H17N3O5S |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 3.24402 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.0889 |
| Heavy Atoms | 31 |
| Complexity | 1220.8942 |
Chemical Identifiers
| CAS Number | 618855-80-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=CC=C5 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one (CAS 618855-80-4), with molecular formula C22H17N3O5S and molecular weight 435.09 g/mol. IUPAC: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.24402 indicates that 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-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 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one is 618855-80-4.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one is C22H17N3O5S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one is 435.09 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.