methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
TL;DR: methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate (CAS 832106-76-0) is a chemical compound with molecular formula C24H18N2O5 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
Also Known As: methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate, methyl 2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate, methyl 2-{[(2-benzyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoate
| Molecular Formula | C24H18N2O5 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.5217 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.12158 |
| Heavy Atoms | 31 |
| Complexity | 1203.6013 |
Chemical Identifiers
| CAS Number | 832106-76-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4 |
Product Overview
methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate (CAS 832106-76-0), with molecular formula C24H18N2O5 and molecular weight 414.12 g/mol. IUPAC: methyl 2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
Property Insights of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate
The XLogP value of 3.5217 indicates that methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate has 1 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 methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The CAS number of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is 832106-76-0.
What is the molecular formula of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The molecular formula of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is C24H18N2O5.
What is the molecular weight of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
The molecular weight of methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate is 414.12 g/mol.
Where can I buy methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
You can request a quote for methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-benzyl-1,3-dioxoisoindoline-5-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.