![1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione structure](/static/products/844/844831-16-9.png)
1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione
TL;DR: 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione (CAS 844831-16-9) is a chemical compound with molecular formula C28H27N3O5 and molecular weight 485.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-3'-hydroxy-1-prop-2-enylspiro[indole-3,5'-pyrrole]-2,2'-dione
Also Known As: 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione, 1-allyl-3'-(benzofuran-2-carbonyl)-1'-(3-(dimethylamino)propyl)-4'-hydroxyspiro[indoline-3,2'-pyrrole]-2,5'(1'H)-dione, 3'-(1-BENZOFURAN-2-CARBONYL)-1'-[3-(DIMETHYLAMINO)PROPYL]-4'-HYDROXY-1-(PROP-2-EN-1-YL)-1,1',2,5'-TETRAHYDROSPIRO[INDOLE-3,2'-PYRROLE]-2,5'-DIONE, 3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxy-1-(prop-2-en-1-yl)spiro[indole-3,2'-pyrrole]-2,5'(1H,1'H)-dione, 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-3'-hydroxy-1-prop-2-enylspiro[indole-3,5'-pyrrole]-2,2'-dione
| Molecular Formula | C28H27N3O5 |
|---|---|
| Molecular Weight | 485.20 g/mol |
| LogP | 3.6496 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.19507 |
| Heavy Atoms | 36 |
| Complexity | 1402.7177 |
Chemical Identifiers
| CAS Number | 844831-16-9 |
|---|---|
| SMILES | CN(C)CCCN1C(=O)C(=C(C12C3=CC=CC=C3N(C2=O)CC=C)C(=O)C4=CC5=CC=CC=C5O4)O |
Product Overview
1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione (CAS 844831-16-9), with molecular formula C28H27N3O5 and molecular weight 485.20 g/mol. IUPAC: 4'-(1-benzofuran-2-carbonyl)-1'-[3-(dimethylamino)propyl]-3'-hydroxy-1-prop-2-enylspiro[indole-3,5'-pyrrole]-2,2'-dione.
Chemical Property Profile of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione
Property Insights of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione
The XLogP value of 3.6496 indicates that 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione. Following Lipinski's Rule of Five, 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione 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 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione?
The CAS number of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione is 844831-16-9.
What is the molecular formula of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione?
The molecular formula of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione is C28H27N3O5.
What is the molecular weight of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione?
The molecular weight of 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione is 485.20 g/mol.
Where can I buy 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione?
You can request a quote for 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3'-(1-benzofuran-2-ylcarbonyl)-1'-[3-(dimethylamino)propyl]-4'-hydroxyspiro[indole-3,2'-pyrrole]-2,5'(1{H},1'{H})-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.