3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
TL;DR: 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester (CAS 681854-31-9) is a chemical compound with molecular formula C16H11NO5 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) 3-methoxybenzoate
Also Known As: 1,3-Dioxoisoindolin-2-yl 3-methoxybenzoate, (1,3-dioxoisoindol-2-yl) 3-methoxybenzoate, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-methoxybenzoate, (1,3-dioxoisoindolin-2-yl) 3-methoxybenzoate, 1,3-dioxobenzo[c]azolin-2-yl 3-methoxybenzoate
| Molecular Formula | C16H11NO5 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.06372 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 681854-31-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | OMZAULRUTWHCNG-UHFFFAOYSA-N |
Product Overview
3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester (CAS 681854-31-9), with molecular formula C16H11NO5 and molecular weight 297.06 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 3-methoxybenzoate.
Chemical Property Profile of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
Property Insights of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester. Following Lipinski's Rule of Five, 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester has 0 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 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The CAS number of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is 681854-31-9.
What is the molecular formula of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The molecular formula of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is C16H11NO5.
What is the molecular weight of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The molecular weight of 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is 297.06 g/mol.
Where can I buy 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
You can request a quote for 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzoic acid, 1,3-dioxo-1,3-dihydroisoindol-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.