![4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one structure](/static/products/6184/618407-63-9.webp)
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618407-63-9) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.14 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-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
| Molecular Formula | C22H24N2O5S |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 2.8927 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1406 |
| Heavy Atoms | 30 |
| Complexity | 983.41907 |
Chemical Identifiers
| CAS Number | 618407-63-9 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CS4 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618407-63-9), with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol. IUPAC: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 2.8927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-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 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 618407-63-9.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C22H24N2O5S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 428.14 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-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)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.