![2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one structure](/static/products/1087/108790-68-7.webp)
2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
TL;DR: 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 108790-68-7) is a chemical compound with molecular formula C16H19BrN2O2 and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one, BAS 00334598, 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one, (1S,2S,5R,7S)-2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 6-(5-bromo-2-hydroxyphenyl)-1,3-dimethyl-5,7-diazatricyclo[3.3.1.1<3,7>]decan- 2-one
| Molecular Formula | C16H19BrN2O2 |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.3798 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.063 |
| Heavy Atoms | 21 |
| Complexity | 605.1642 |
Chemical Identifiers
| CAS Number | 108790-68-7 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=C(C=CC(=C4)Br)O)C |
Product Overview
2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one (CAS 108790-68-7), with molecular formula C16H19BrN2O2 and molecular weight 350.06 g/mol. IUPAC: 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Property Insights of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
The XLogP value of 2.3798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one. With a topological polar surface area (TPSA) of 43.78 Ų, 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one has 1 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 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The CAS number of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 108790-68-7.
What is the molecular formula of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular formula of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is C16H19BrN2O2.
What is the molecular weight of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
The molecular weight of 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one is 350.06 g/mol.
Where can I buy 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
You can request a quote for 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.