5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 474648-06-1) is a chemical compound with molecular formula C15H14Br2N2O2 and molecular weight 411.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: AE-848/32732033, 8,9-dibromo-4-(phenylamino)-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione, F0827-0088, 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-anilino-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
| Molecular Formula | C15H14Br2N2O2 |
|---|---|
| Molecular Weight | 411.94 g/mol |
| LogP | 2.7914 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.9422 |
| Heavy Atoms | 21 |
| Complexity | 576.951 |
Chemical Identifiers
| CAS Number | 474648-06-1 |
|---|---|
| SMILES | C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)NC4=CC=CC=C4 |
Product Overview
5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 474648-06-1), with molecular formula C15H14Br2N2O2 and molecular weight 411.94 g/mol. IUPAC: 4-anilino-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 2.7914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione 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 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 474648-06-1.
What is the molecular formula of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C15H14Br2N2O2.
What is the molecular weight of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 411.94 g/mol.
Where can I buy 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-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-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dibromo-2-(phenylamino)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.