![4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid structure](/static/products/4043/404371-76-2.webp)
4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid
TL;DR: 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid (CAS 404371-76-2) 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.
4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic acid
Also Known As: 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid, 4-[({[1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)methyl]benzoic acid, 4-((1,3-dioxo-2-((tetrahydrofuran-2-yl)methyl)isoindoline-5-carboxamido)methyl)benzoic acid, 4-({[1,3-DIOXO-2-(OXOLAN-2-YLMETHYL)ISOINDOL-5-YL]FORMAMIDO}METHYL)BENZOIC ACID
| Molecular Formula | C22H20N2O6 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.0898 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13214 |
| Heavy Atoms | 30 |
| Complexity | 1024.4233 |
Chemical Identifiers
| CAS Number | 404371-76-2 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid (CAS 404371-76-2), with molecular formula C22H20N2O6 and molecular weight 408.13 g/mol. IUPAC: 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid
Property Insights of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid
The XLogP value of 2.0898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic 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 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid?
The CAS number of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid is 404371-76-2.
What is the molecular formula of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid?
The molecular formula of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid is C22H20N2O6.
What is the molecular weight of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid?
The molecular weight of 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid is 408.13 g/mol.
Where can I buy 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid?
You can request a quote for 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]amino]methyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.