N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
TL;DR: N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide (CAS 1005053-27-9) is a chemical compound with molecular formula C18H16BrClN2O3 and molecular weight 422.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-chloro-2-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
Also Known As: N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide, N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetamide, N-(4-BROMO-3-CHLORO-2-METHYLPHENYL)-2-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL}ACETAMIDE
| Molecular Formula | C18H16BrClN2O3 |
|---|---|
| Molecular Weight | 422.00 g/mol |
| LogP | 3.15652 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.00327 |
| Heavy Atoms | 25 |
| Complexity | 807.8552 |
Chemical Identifiers
| CAS Number | 1005053-27-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1Cl)Br)NC(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide (CAS 1005053-27-9), with molecular formula C18H16BrClN2O3 and molecular weight 422.00 g/mol. IUPAC: N-(4-bromo-3-chloro-2-methylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide.
Chemical Property Profile of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
Property Insights of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
The XLogP value of 3.15652 indicates that N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide 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-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide. Following Lipinski's Rule of Five, N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide 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-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide?
The CAS number of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide is 1005053-27-9.
What is the molecular formula of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide?
The molecular formula of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide is C18H16BrClN2O3.
What is the molecular weight of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide?
The molecular weight of N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide is 422.00 g/mol.
Where can I buy N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide?
You can request a quote for N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide 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-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-3-chloro-2-methylphenyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.