Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate
TL;DR: Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate (CAS 330979-80-1) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1,3-dioxo-2-phenylisoindole-5-carboxylate
Also Known As: isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate, propan-2-yl 1,3-dioxo-2-phenylisoindole-5-carboxylate, propan-2-yl 1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.0524 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 795.9238 |
Chemical Identifiers
| CAS Number | 330979-80-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3 |
Product Overview
Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate (CAS 330979-80-1), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: propan-2-yl 1,3-dioxo-2-phenylisoindole-5-carboxylate.
Chemical Property Profile of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate
Property Insights of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate
The XLogP value of 3.0524 indicates that Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate 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 Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate?
The CAS number of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate is 330979-80-1.
What is the molecular formula of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate?
The molecular formula of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate is C18H15NO4.
What is the molecular weight of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate?
The molecular weight of Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate is 309.10 g/mol.
Where can I buy Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate?
You can request a quote for Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 1,3-dioxo-2-phenyl-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.