2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione
TL;DR: 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione (CAS 98847-93-9) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-diazo-3-oxo-1-phenylbutan-2-yl)isoindole-1,3-dione
Also Known As: 2-(4-diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione, 1-diazonio-3-(1,3-dioxoisoindol-2-yl)-4-phenylbut-1-en-2-olate, (Z)-1-diazonio-3-(1,3-dioxoisoindol-2-yl)-4-phenylbut-1-en-2-olate
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 98847-93-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)C=[N+]=[N-])N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | VCLRDQHWCQVRQY-UHFFFAOYSA-N |
Product Overview
2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione (CAS 98847-93-9), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: 2-(4-diazo-3-oxo-1-phenylbutan-2-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione
Property Insights of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 56.5 Ų, 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione has 0 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 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione?
The CAS number of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione is 98847-93-9.
What is the molecular formula of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione?
The molecular formula of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione is C18H13N3O3.
What is the molecular weight of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione?
The molecular weight of 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione is 319.10 g/mol.
Where can I buy 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione?
You can request a quote for 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Diazo-3-oxo-1-phenylbutan-2-yl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.