Methyl 1,3-dioxoisoindoline-5-carboxylate
TL;DR: Methyl 1,3-dioxoisoindoline-5-carboxylate (CAS 56720-83-3) is a chemical compound with molecular formula C10H7NO4 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-dioxoisoindole-5-carboxylate
Also Known As: Methyl 1,3-dioxoisoindoline-5-carboxylate, METHYL 1,3-DIOXO-2H-ISOINDOLE-5-CARBOXYLATE, methyl 1,3-dioxoisoindole-5-carboxylate, methyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, Methyl1,3-dioxoisoindoline-5-carboxylate
| Molecular Formula | C10H7NO4 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 0.3568 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0375 |
| Heavy Atoms | 15 |
| Complexity | 478.31076 |
Chemical Identifiers
| CAS Number | 56720-83-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)NC2=O |
Product Overview
Methyl 1,3-dioxoisoindoline-5-carboxylate (CAS 56720-83-3), with molecular formula C10H7NO4 and molecular weight 205.04 g/mol. IUPAC: methyl 1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Methyl 1,3-dioxoisoindoline-5-carboxylate
Property Insights of Methyl 1,3-dioxoisoindoline-5-carboxylate
The XLogP value of 0.3568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,3-dioxoisoindoline-5-carboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,3-dioxoisoindoline-5-carboxylate. Following Lipinski's Rule of Five, Methyl 1,3-dioxoisoindoline-5-carboxylate has 1 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 Methyl 1,3-dioxoisoindoline-5-carboxylate?
The CAS number of Methyl 1,3-dioxoisoindoline-5-carboxylate is 56720-83-3.
What is the molecular formula of Methyl 1,3-dioxoisoindoline-5-carboxylate?
The molecular formula of Methyl 1,3-dioxoisoindoline-5-carboxylate is C10H7NO4.
What is the molecular weight of Methyl 1,3-dioxoisoindoline-5-carboxylate?
The molecular weight of Methyl 1,3-dioxoisoindoline-5-carboxylate is 205.04 g/mol.
Where can I buy Methyl 1,3-dioxoisoindoline-5-carboxylate?
You can request a quote for Methyl 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 Methyl 1,3-dioxoisoindoline-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3-dioxoisoindoline-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.