Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate
TL;DR: Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate (CAS 33512-26-4) is a chemical compound with molecular formula C13H16NO5P and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphorylmethyl)isoindole-1,3-dione
Also Known As: Diethyl (phthalimidomethyl)phosphonate, S-2-methyl-butan-1-ol, Diethyl ((1,3-dioxoisoindolin-2-yl)methyl)phosphonate, 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione, diethyl phthalimidomethylphosphonate
| Molecular Formula | C13H16NO5P |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 2.5062 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.0766 |
| Heavy Atoms | 20 |
| Complexity | 540.87915 |
Chemical Identifiers
| CAS Number | 33512-26-4 |
|---|---|
| SMILES | CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC |
Product Overview
Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate (CAS 33512-26-4), with molecular formula C13H16NO5P and molecular weight 297.08 g/mol. IUPAC: 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione.
Chemical Property Profile of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate
Property Insights of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate
The XLogP value of 2.5062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate. Following Lipinski's Rule of Five, Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate 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 Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate?
The CAS number of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate is 33512-26-4.
What is the molecular formula of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate?
The molecular formula of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate is C13H16NO5P.
What is the molecular weight of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate?
The molecular weight of Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate is 297.08 g/mol.
Where can I buy Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate?
You can request a quote for Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.