![2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/3269/326907-55-5.webp)
2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 326907-55-5) is a chemical compound with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, AF-399/14218010, 2-[3-oxo-3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione, 2-(3-(2-(allylthio)-1H-benzo[d]imidazol-1-yl)-3-oxopropyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-{3-oxo-3-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C25H19N3O3S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 4.7941 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11472 |
| Heavy Atoms | 32 |
| Complexity | 1372.0027 |
Chemical Identifiers
| CAS Number | 326907-55-5 |
|---|---|
| SMILES | C=CCSC1=NC2=CC=CC=C2N1C(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 326907-55-5), with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol. IUPAC: 2-[3-oxo-3-(2-prop-2-enylsulfanylbenzimidazol-1-yl)propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 4.7941 indicates that 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 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 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 326907-55-5.
What is the molecular formula of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is C25H19N3O3S.
What is the molecular weight of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 441.11 g/mol.
Where can I buy 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[2-(allylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.