![(4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone structure](/static/products/3182/318259-58-4.webp)
(4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
TL;DR: (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone (CAS 318259-58-4) is a chemical compound with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone
Also Known As: BAS 00337638, 1,3,5-triazaadamantan-7-yl(4-bromophenyl)methanone, (4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone, (1s,3s,5s)-1,3,5-triazaadamantan-7-yl(4-bromophenyl)methanone, (4-Bromo-phenyl)-(1,3,5-triaza-tricyclo[3.3.1.1*3,7*]dec-7-yl)-methanone
| Molecular Formula | C14H16BrN3O |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 1.4375 |
| Topological Polar Surface Area | 26.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.04767 |
| Heavy Atoms | 19 |
| Complexity | 492.71332 |
Chemical Identifiers
| CAS Number | 318259-58-4 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=C(C=C4)Br |
Product Overview
(4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone (CAS 318259-58-4), with molecular formula C14H16BrN3O and molecular weight 321.05 g/mol. IUPAC: (4-bromophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanone.
Chemical Property Profile of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
Property Insights of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
The XLogP value of 1.4375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone. With a topological polar surface area (TPSA) of 26.79 Ų, (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone 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 (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The CAS number of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 318259-58-4.
What is the molecular formula of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular formula of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is C14H16BrN3O.
What is the molecular weight of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
The molecular weight of (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone is 321.05 g/mol.
Where can I buy (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
You can request a quote for (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.