2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione (CAS 77202-58-5) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-diazo-3-oxobutan-2-yl)isoindole-1,3-dione
Also Known As: 1-diazo-3-phthalimido-2-butanone, 1-diazo-3-phthalimidobutan-2-one, J2.683.684K, N-(3-Diazo-1-methyl-2-oxopropyl)phthalimide, 1-diazonio-3-(1,3-dioxoisoindol-2-yl)but-1-en-2-olate
| Molecular Formula | C12H9N3O3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.5408 |
| Topological Polar Surface Area | 90.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.06439 |
| Heavy Atoms | 18 |
| Complexity | 567.34015 |
Chemical Identifiers
| CAS Number | 77202-58-5 |
|---|---|
| SMILES | CC(C(=O)C=[N+]=[N-])N1C(=O)C2=CC=CC=C2C1=O |
Product Overview
2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione (CAS 77202-58-5), with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol. IUPAC: 2-(4-diazo-3-oxobutan-2-yl)isoindole-1,3-dione.
Chemical Property Profile of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione. The TPSA of 90.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione is 77202-58-5.
What is the molecular formula of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione is C12H9N3O3.
What is the molecular weight of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione is 243.06 g/mol.
Where can I buy 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-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-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-diazo-3-oxobutan-2-yl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.