7-Bromo-1,3,5-triazaadamantane
TL;DR: 7-Bromo-1,3,5-triazaadamantane (CAS 51706-46-8) is a chemical compound with molecular formula C7H12BrN3 and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-1,3,5-triazatricyclo[3.3.1.13,7]decane
Also Known As: bromo urotropine-, 7-bromo-1,3,5-triazaadamantane, (1s,3s,5s)-7-bromo-1,3,5-triazaadamantane, 7-bromo-1,3,5-triaza-tricyclo[3.3.1.1*3,7*]decane, 7-bromo-1,3,5-triazatricyclo[3.3.1.1<3,7>]decane
| Molecular Formula | C7H12BrN3 |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | -0.0606 |
| Topological Polar Surface Area | 9.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.02145 |
| Heavy Atoms | 11 |
| Complexity | 158.8405 |
Chemical Identifiers
| CAS Number | 51706-46-8 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)Br |
Product Overview
7-Bromo-1,3,5-triazaadamantane (CAS 51706-46-8), with molecular formula C7H12BrN3 and molecular weight 217.02 g/mol. IUPAC: 7-bromo-1,3,5-triazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 7-Bromo-1,3,5-triazaadamantane
Property Insights of 7-Bromo-1,3,5-triazaadamantane
The XLogP value of -0.0606 indicates that 7-Bromo-1,3,5-triazaadamantane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.72 Ų, 7-Bromo-1,3,5-triazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-1,3,5-triazaadamantane has 0 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 7-Bromo-1,3,5-triazaadamantane?
The CAS number of 7-Bromo-1,3,5-triazaadamantane is 51706-46-8.
What is the molecular formula of 7-Bromo-1,3,5-triazaadamantane?
The molecular formula of 7-Bromo-1,3,5-triazaadamantane is C7H12BrN3.
What is the molecular weight of 7-Bromo-1,3,5-triazaadamantane?
The molecular weight of 7-Bromo-1,3,5-triazaadamantane is 217.02 g/mol.
Where can I buy 7-Bromo-1,3,5-triazaadamantane?
You can request a quote for 7-Bromo-1,3,5-triazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-1,3,5-triazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-1,3,5-triazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.