Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate
TL;DR: Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate (CAS 448231-16-1) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate
Also Known As: Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate, methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.4881 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 869.843 |
Chemical Identifiers
| CAS Number | 448231-16-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate (CAS 448231-16-1), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoate.
Chemical Property Profile of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate
Property Insights of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate
The XLogP value of 2.4881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)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 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate?
The CAS number of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate is 448231-16-1.
What is the molecular formula of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate?
The molecular formula of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate is C20H18N2O5.
What is the molecular weight of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate?
The molecular weight of Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate is 366.12 g/mol.
Where can I buy Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate?
You can request a quote for Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-(1,3-dioxoisoindolin-2-yl)butanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.