3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
TL;DR: 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (CAS 101758-77-4) is a chemical compound with molecular formula C16H13Br2NO4 and molecular weight 440.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid
Also Known As: 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid, 4,7-Methano-2H-isoindole, benzoic acid deriv., 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid, 3-{8,9-DIBROMO-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}BENZOIC ACID, benzoic acid, 3-(5,6-dibromooctahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-
| Molecular Formula | C16H13Br2NO4 |
|---|---|
| Molecular Weight | 440.92 g/mol |
| LogP | 2.6671 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.92114 |
| Heavy Atoms | 23 |
| Complexity | 704.54535 |
Chemical Identifiers
| CAS Number | 101758-77-4 |
|---|---|
| SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O |
Product Overview
3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid (CAS 101758-77-4), with molecular formula C16H13Br2NO4 and molecular weight 440.92 g/mol. IUPAC: 3-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid.
Chemical Property Profile of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Property Insights of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
The XLogP value of 2.6671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid?
The CAS number of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid is 101758-77-4.
What is the molecular formula of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid?
The molecular formula of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid is C16H13Br2NO4.
What is the molecular weight of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid?
The molecular weight of 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid is 440.92 g/mol.
Where can I buy 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid?
You can request a quote for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)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-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.