![2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid structure](/static/products/4045/404584-62-9.webp)
2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid
TL;DR: 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid (CAS 404584-62-9) is a chemical compound with molecular formula C25H15N3O7 and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid
Also Known As: BIM-0026027.P001, 2-methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid, 3-[[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid, 2-methyl-3-{[(1,1',3,3'-tetraoxo-1,1',3,3'-tetrahydro-2,2'-biisoindol-5-yl)carbonyl]amino}benzoic acid
| Molecular Formula | C25H15N3O7 |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 2.75272 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.091 |
| Heavy Atoms | 35 |
| Complexity | 1490.1901 |
Chemical Identifiers
| CAS Number | 404584-62-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)N4C(=O)C5=CC=CC=C5C4=O)C(=O)O |
Product Overview
2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid (CAS 404584-62-9), with molecular formula C25H15N3O7 and molecular weight 469.09 g/mol. IUPAC: 3-[[2-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid.
Chemical Property Profile of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid
Property Insights of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid
The XLogP value of 2.75272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid. The TPSA of 141.16 Ų indicates high polarity, suggesting 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid has 2 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 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid?
The CAS number of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid is 404584-62-9.
What is the molecular formula of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid?
The molecular formula of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid is C25H15N3O7.
What is the molecular weight of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid?
The molecular weight of 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid is 469.09 g/mol.
Where can I buy 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid?
You can request a quote for 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(1,1',3,3'-tetraoxo-[2,2'-biisoindoline]-5-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.