![3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid structure](/static/products/405/405895-50-3.png)
3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid
TL;DR: 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid (CAS 405895-50-3) is a chemical compound with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-2-methylbenzoic acid
Also Known As: 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid, 3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-2-methylbenzoic acid, 3-(1,3-dioxo-2-((tetrahydrofuran-2-yl)methyl)isoindoline-5-carboxamido)-2-methylbenzoic acid, 3-{[1,3-Dioxo-2-(tetrahydro-furan-2-ylmethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]-amino}-2-methyl-be nzoic acid
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.72052 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 1071.2926 |
Chemical Identifiers
| CAS Number | 405895-50-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4CCCO4)C(=O)O |
Product Overview
3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid (CAS 405895-50-3), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 3-[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]-2-methylbenzoic acid.
Chemical Property Profile of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid
Property Insights of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid
The XLogP value of 2.72052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid has 2 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-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid?
The CAS number of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid is 405895-50-3.
What is the molecular formula of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid?
The molecular formula of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid is C22H20N2O6.
What is the molecular weight of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid?
The molecular weight of 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid is 408.13 g/mol.
Where can I buy 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid?
You can request a quote for 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.