1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
TL;DR: 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate (CAS 84461-00-7) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-diazo-4-oxopentyl)isoindole-1,3-dione
Also Known As: 1-diazo-5-phthalimido-2-pentanone, 1-diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate, N-(5-Diazo-4-oxopentyl)phthalimide, 2-(5-DIAZO-4-OXOPENTYL)ISOINDOLE-1,3-DIONE, J2.683.686G
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 84461-00-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)C=[N+]=[N-] |
| InChIKey | NRJBMDKQGZKIEY-UHFFFAOYSA-N |
Product Overview
1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate (CAS 84461-00-7), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 2-(5-diazo-4-oxopentyl)isoindole-1,3-dione.
Chemical Property Profile of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
Property Insights of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate. With a topological polar surface area (TPSA) of 56.5 Ų, 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate 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 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate?
The CAS number of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate is 84461-00-7.
What is the molecular formula of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate?
The molecular formula of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate is C13H11N3O3.
What is the molecular weight of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate?
The molecular weight of 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate is 257.08 g/mol.
Where can I buy 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate?
You can request a quote for 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-Diazonio-5-(1,3-dioxoisoindol-2-yl)pent-1-en-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.