4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 78650-79-0) is a chemical compound with molecular formula C15H13Br2NO4 and molecular weight 428.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid
Also Known As: BAS 00722183, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid, 4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid, 4-(5,6-dibromo-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoic acid, 4-(5,6-Dibromo-1,3-dioxo-octahydro-isoindol-2-yl)-benzoic acid
| Molecular Formula | C15H13Br2NO4 |
|---|---|
| Molecular Weight | 428.92 g/mol |
| LogP | 2.8112 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.92114 |
| Heavy Atoms | 22 |
| Complexity | 617.44745 |
Chemical Identifiers
| CAS Number | 78650-79-0 |
|---|---|
| SMILES | C1C2C(CC(C1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid (CAS 78650-79-0), with molecular formula C15H13Br2NO4 and molecular weight 428.92 g/mol. IUPAC: 4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 2.8112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is 78650-79-0.
What is the molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is C15H13Br2NO4.
What is the molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid is 428.92 g/mol.
Where can I buy 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.