N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide
TL;DR: N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide (CAS 489401-77-6) is a chemical compound with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2,3-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide
Also Known As: N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide, N-(4-bromo-2,3-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanamide, 3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)-N-(4-bromo-2,3-dimethylpheny l)propanamide, N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)propanamide, N-(4-BROMO-2,3-DIMETHYLPHENYL)-3-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}PROPANAMIDE
| Molecular Formula | C20H23BrN2O3 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 3.42564 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0892 |
| Heavy Atoms | 26 |
| Complexity | 778.4912 |
Chemical Identifiers
| CAS Number | 489401-77-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)Br)NC(=O)CCN2C(=O)C3C4CCC(C4)C3C2=O |
Product Overview
N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide (CAS 489401-77-6), with molecular formula C20H23BrN2O3 and molecular weight 418.09 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)propanamide.
Chemical Property Profile of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide
Property Insights of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide
The XLogP value of 3.42564 indicates that N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide. Following Lipinski's Rule of Five, N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide 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 N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide?
The CAS number of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide is 489401-77-6.
What is the molecular formula of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide?
The molecular formula of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide is C20H23BrN2O3.
What is the molecular weight of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide?
The molecular weight of N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide is 418.09 g/mol.
Where can I buy N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide?
You can request a quote for N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-2,3-dimethylphenyl)-3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.