RefChem:1090861
TL;DR: RefChem:1090861 (CAS 101564-94-7) is a chemical compound with molecular formula C13H16Br3N3 and molecular weight 450.88943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,4-dibromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine bromide
Also Known As: 2-(2,4-Dibromo-5,6,7,8-tetrahydro-1-naphthylamino)-2-imidazoline hydrobromide, 2-IMIDAZOLINE, 2-(2,4-DIBROMO-5,6,7,8-TETRAHYDRO-1-NAPHTHYLAMINO)-, HYDROBROMIDE, N-(2,4-dibromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine bromide, 2-[(2,4-dibromo-5,6,7,8-tetrahydronaphthalen-1-yl)amino]-4,5-dihydro-1h-imidazol-1-ium bromide, N-(2,4-dibromo-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-1-ium-2-amine
Technical Specifications
| Molecular Formula | C13H16Br3N3 |
| Molecular Weight | 450.88943 g/mol |
| XLogP | -0.56 |
| Topological Polar Surface Area (TPSA) | 41.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.8874 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | C1CCC2=C(C1)C(=CC(=C2NC3=NCC[NH2+]3)Br)Br.[Br-] |
| InChIKey | KIGDEWDTMMEPCZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1090861
Property Insights of RefChem:1090861
The XLogP value of -0.56 indicates that RefChem:1090861 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.0 Ų, RefChem:1090861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090861 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1090861?
The CAS number of RefChem:1090861 is 101564-94-7.
What is the molecular formula of RefChem:1090861?
The molecular formula of RefChem:1090861 is C13H16Br3N3.
What is the molecular weight of RefChem:1090861?
The molecular weight of RefChem:1090861 is 450.88943 g/mol.
Where can I buy RefChem:1090861?
You can request a quote for RefChem:1090861 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1090861?
Yes, CoreyChem provides custom synthesis services for RefChem:1090861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.