![4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid structure](/static/products/500/500102-65-8.png)
4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid
TL;DR: 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid (CAS 500102-65-8) is a chemical compound with molecular formula C18H16Br2N2O5 and molecular weight 497.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetyl]amino]benzoic acid
Also Known As: 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid, 4-[2-(8,9-Dibromo-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-acetylamino]-benzoic acid, 4-(2-(5,6-dibromo-1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetamido)benzoic acid, 4-(2-{8,9-DIBROMO-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}ACETAMIDO)BENZOIC ACID, 4-[2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)acetylamino]be nzoic acid
| Molecular Formula | C18H16Br2N2O5 |
|---|---|
| Molecular Weight | 497.94 g/mol |
| LogP | 2.1012 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.9426 |
| Heavy Atoms | 27 |
| Complexity | 810.6587 |
Chemical Identifiers
| CAS Number | 500102-65-8 |
|---|---|
| SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid (CAS 500102-65-8), with molecular formula C18H16Br2N2O5 and molecular weight 497.94 g/mol. IUPAC: 4-[[2-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid
Property Insights of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid
The XLogP value of 2.1012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-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 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid?
The CAS number of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid is 500102-65-8.
What is the molecular formula of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid?
The molecular formula of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid is C18H16Br2N2O5.
What is the molecular weight of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid?
The molecular weight of 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid is 497.94 g/mol.
Where can I buy 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid?
You can request a quote for 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-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 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.