Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate
TL;DR: Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate (CAS 21695-35-2) is a chemical compound with molecular formula C13H11NO6 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxy-2-oxoethyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: Methyl 2-(2-methoxy-2-oxoethyl)-1,3-dioxoisoindoline-5-carboxylate, Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate, 2-METHOXYCARBONYLMETHYL-1,3-DIOXO-2,3-2H-1H-ISOINDOLE-5-CARBOXYLIC ACID ME ESTER, methyl 2-(2-methoxy-2-oxoethyl)-1,3-dioxoisoindole-5-carboxylate, 2-Methoxycarbonylmethyl-1,3-dioxo-2,3-dihy dro-1H-isoindole-5-carboxylic acid methyl ester
| Molecular Formula | C13H11NO6 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.05862 |
| Heavy Atoms | 20 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 21695-35-2 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC |
| InChIKey | RKBOORVKPMUCLS-UHFFFAOYSA-N |
Product Overview
Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate (CAS 21695-35-2), with molecular formula C13H11NO6 and molecular weight 277.06 g/mol. IUPAC: methyl 2-(2-methoxy-2-oxoethyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate
Property Insights of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate. Following Lipinski's Rule of Five, Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate has 0 hydrogen bond donor(s) and 6 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-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate?
The CAS number of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate is 21695-35-2.
What is the molecular formula of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate?
The molecular formula of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate is C13H11NO6.
What is the molecular weight of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate?
The molecular weight of Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate is 277.06 g/mol.
Where can I buy Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate?
You can request a quote for Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate 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-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3-dihydro-5-(methoxycarbonyl)-1,3-dioxo-2H-isoindole-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.