![3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione structure](/static/products/873/87365-29-5.png)
3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione
TL;DR: 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione (CAS 87365-29-5) is a chemical compound with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione
Also Known As: 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione, 2-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-2,3-dihydrophthalazine-1,4-dione
| Molecular Formula | C18H13N3O4 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0906 |
| Heavy Atoms | 25 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 87365-29-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | CDDQOIQYLHCEEU-UHFFFAOYSA-N |
Product Overview
3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione (CAS 87365-29-5), with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol. IUPAC: 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione.
Chemical Property Profile of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione
Property Insights of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione. Following Lipinski's Rule of Five, 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione has 1 hydrogen bond donor(s) and 4 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-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione?
The CAS number of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione is 87365-29-5.
What is the molecular formula of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione?
The molecular formula of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione is C18H13N3O4.
What is the molecular weight of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione?
The molecular weight of 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione is 335.09 g/mol.
Where can I buy 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione?
You can request a quote for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2H-phthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.