2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005122-76-8) is a chemical compound with molecular formula C17H20BrNO2 and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2,3-dimethylphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione, 2-(4-bromo-2,3-dimethylphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C17H20BrNO2 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 3.99154 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.06775 |
| Heavy Atoms | 21 |
| Complexity | 625.4613 |
Chemical Identifiers
| CAS Number | 1005122-76-8 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=C(C(=C(C=C3)Br)C)C |
Product Overview
2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005122-76-8), with molecular formula C17H20BrNO2 and molecular weight 349.07 g/mol. IUPAC: 2-(4-bromo-2,3-dimethylphenyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.99154 indicates that 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-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, 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-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 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is 1005122-76-8.
What is the molecular formula of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is C17H20BrNO2.
What is the molecular weight of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione is 349.07 g/mol.
Where can I buy 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-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 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-2,3-dimethylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.