![2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid structure](/static/products/3749/374922-40-4.webp)
2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid
TL;DR: 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid (CAS 374922-40-4) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzoic acid
Also Known As: BAS 02927287, AF-399/40741291, 2-[2-(1,3-Dioxo-octahydro-isoindol-2-yl)-acetylamino]-benzoic acid, 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid, 2-(2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)acetamido)benzoic acid
| Molecular Formula | C17H18N2O5 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 1.4985 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.12158 |
| Heavy Atoms | 24 |
| Complexity | 690.6874 |
Chemical Identifiers
| CAS Number | 374922-40-4 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid (CAS 374922-40-4), with molecular formula C17H18N2O5 and molecular weight 330.12 g/mol. IUPAC: 2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid
Property Insights of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid
The XLogP value of 1.4985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 4 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-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid?
The CAS number of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid is 374922-40-4.
What is the molecular formula of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid?
The molecular formula of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid is C17H18N2O5.
What is the molecular weight of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid?
The molecular weight of 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid is 330.12 g/mol.
Where can I buy 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid?
You can request a quote for 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}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-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.