(1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine
TL;DR: (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine (CAS 346715-13-7) is a chemical compound with molecular formula C14H17BrN4 and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Also Known As: (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine, 7-[(1E)-2-(4-bromophenyl)-1-azavinyl]-1,3,5-triazatricyclo[3.3.1.1<3,7>]decane, N-[(Z)-(4-bromophenyl)methylidene]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine
| Molecular Formula | C14H17BrN4 |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.06366 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 346715-13-7 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)N=CC4=CC=C(C=C4)Br |
| InChIKey | GUZDSVLRXCACQC-UHFFFAOYSA-N |
Product Overview
(1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine (CAS 346715-13-7), with molecular formula C14H17BrN4 and molecular weight 320.06 g/mol. IUPAC: 1-(4-bromophenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.
Chemical Property Profile of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine
Property Insights of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine. With a topological polar surface area (TPSA) of 22.1 Ų, (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine has 0 hydrogen bond donor(s) and 4 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 (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine?
The CAS number of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine is 346715-13-7.
What is the molecular formula of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine?
The molecular formula of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine is C14H17BrN4.
What is the molecular weight of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine?
The molecular weight of (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine is 320.06 g/mol.
Where can I buy (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine?
You can request a quote for (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine?
Yes, KEHONG BIO provides custom synthesis services for (1s,3s,5s,E)-N-(4-bromobenzylidene)-1,3,5-triazaadamantan-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.