5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 78650-83-6) is a chemical compound with molecular formula C16H17Br2NO2 and molecular weight 412.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dibromo-2-(2,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione, 5,6-dibromo-2-(2,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-(2,4-dimethylphenyl)-5,6-dibromo-4,5,6,7,3a,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C16H17Br2NO2 |
|---|---|
| Molecular Weight | 412.96 g/mol |
| LogP | 3.72984 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.9626 |
| Heavy Atoms | 21 |
| Complexity | 588.29456 |
Chemical Identifiers
| CAS Number | 78650-83-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=O)C3CC(C(CC3C2=O)Br)Br)C |
Product Overview
5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 78650-83-6), with molecular formula C16H17Br2NO2 and molecular weight 412.96 g/mol. IUPAC: 5,6-dibromo-2-(2,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.72984 indicates that 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione is 78650-83-6.
What is the molecular formula of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione is C16H17Br2NO2.
What is the molecular weight of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione is 412.96 g/mol.
Where can I buy 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dibromo-2-(2,4-dimethylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.