3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618409-07-7) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 3.5297 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 965.58716 |
Chemical Identifiers
| CAS Number | 618409-07-7 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)CCCOC)C4=CC=CS4)/O |
Product Overview
3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618409-07-7), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(3-methoxypropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 3.5297 indicates that 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 6 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 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 618409-07-7.
What is the molecular formula of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C22H23NO5S.
What is the molecular weight of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 413.13 g/mol.
Where can I buy 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1-(3-methoxypropyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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.