4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate
TL;DR: 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 331672-53-8) is a chemical compound with molecular formula C22H14INO4 and molecular weight 483.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00396941, 4-methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate, (4-methylphenyl) 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylate
| Molecular Formula | C22H14INO4 |
|---|---|
| Molecular Weight | 483.00 g/mol |
| LogP | 4.61942 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.99677 |
| Heavy Atoms | 28 |
| Complexity | 1104.3856 |
Chemical Identifiers
| CAS Number | 331672-53-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)I |
Product Overview
4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 331672-53-8), with molecular formula C22H14INO4 and molecular weight 483.00 g/mol. IUPAC: (4-methylphenyl) 2-(4-iodophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate
Property Insights of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate
The XLogP value of 4.61942 indicates that 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-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 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-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 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The CAS number of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate is 331672-53-8.
What is the molecular formula of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular formula of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate is C22H14INO4.
What is the molecular weight of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular weight of 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate is 483.00 g/mol.
Where can I buy 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
You can request a quote for 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 2-(4-iodophenyl)-1,3-dioxo-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.