3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
TL;DR: 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester (CAS 681845-28-3) is a chemical compound with molecular formula C18H15NO7 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) 3,4,5-trimethoxybenzoate
Also Known As: 1,3-Dioxoisoindolin-2-yl 3,4,5-trimethoxybenzoate, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4,5-trimethoxybenzoate, J3.653.618G, (1,3-dioxoisoindol-2-yl) 3,4,5-trimethoxybenzoate, A2910/0122642
| Molecular Formula | C18H15NO7 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.0804 |
| Topological Polar Surface Area | 91.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.08484 |
| Heavy Atoms | 26 |
| Complexity | 846.1578 |
Chemical Identifiers
| CAS Number | 681845-28-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)ON2C(=O)C3=CC=CC=C3C2=O |
Product Overview
3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester (CAS 681845-28-3), with molecular formula C18H15NO7 and molecular weight 357.08 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
Property Insights of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester
The XLogP value of 2.0804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester. The TPSA of 91.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester. Following Lipinski's Rule of Five, 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester has 0 hydrogen bond donor(s) and 7 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 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The CAS number of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is 681845-28-3.
What is the molecular formula of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The molecular formula of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is C18H15NO7.
What is the molecular weight of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
The molecular weight of 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester is 357.08 g/mol.
Where can I buy 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
You can request a quote for 3,4,5-Trimethoxybenzoic 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 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxybenzoic acid 1,3-dioxo-1,3-dihydroisoindol-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.