Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
TL;DR: Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-06-4) is a chemical compound with molecular formula C19H15Cl2NO4 and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00512069, isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate, 2-methylpropyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate, 2-methylpropyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, 2-methylpropyl 2-(3,4-dichlorophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate
| Molecular Formula | C19H15Cl2NO4 |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 4.6068 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0378 |
| Heavy Atoms | 26 |
| Complexity | 923.7503 |
Chemical Identifiers
| CAS Number | 351994-06-4 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-06-4), with molecular formula C19H15Cl2NO4 and molecular weight 391.04 g/mol. IUPAC: 2-methylpropyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
Property Insights of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate
The XLogP value of 4.6068 indicates that Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate 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 Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate. Following Lipinski's Rule of Five, Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate 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 Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate?
The CAS number of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate is 351994-06-4.
What is the molecular formula of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate?
The molecular formula of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate is C19H15Cl2NO4.
What is the molecular weight of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate?
The molecular weight of Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate is 391.04 g/mol.
Where can I buy Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate?
You can request a quote for Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.