![3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid structure](/static/products/3292/329212-28-4.webp)
3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid
TL;DR: 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid (CAS 329212-28-4) is a chemical compound with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid
Also Known As: 3-[acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid, 3-{acetyl[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoic acid, 3-(N-((5-bromo-1,3-dioxoisoindolin-2-yl)methyl)acetamido)benzoic acid, 3-{N-[(5-bromo-1,3-dioxobenzo[c]azolidin-2-yl)methyl]acetylamino}benzoic acid, 3-{N-[(5-BROMO-1,3-DIOXOISOINDOL-2-YL)METHYL]ACETAMIDO}BENZOIC ACID
| Molecular Formula | C18H13BrN2O5 |
|---|---|
| Molecular Weight | 416.00 g/mol |
| LogP | 2.7539 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.0008 |
| Heavy Atoms | 26 |
| Complexity | 956.34766 |
Chemical Identifiers
| CAS Number | 329212-28-4 |
|---|---|
| SMILES | CC(=O)N(CN1C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid (CAS 329212-28-4), with molecular formula C18H13BrN2O5 and molecular weight 416.00 g/mol. IUPAC: 3-[acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid.
Chemical Property Profile of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid
Property Insights of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid
The XLogP value of 2.7539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid has 1 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 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid?
The CAS number of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid is 329212-28-4.
What is the molecular formula of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid?
The molecular formula of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid is C18H13BrN2O5.
What is the molecular weight of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid?
The molecular weight of 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid is 416.00 g/mol.
Where can I buy 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid?
You can request a quote for 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]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 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Acetyl-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.