(1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
TL;DR: (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 302901-52-6) 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-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Also Known As: (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one, 2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^{3,7}]decan-6-one, 2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-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 | 302901-52-6 |
|---|---|
| SMILES | CC12CN3CC(C1=O)(CN(C2)C3C4=C(C=C(C=C4)Br)O)C |
Product Overview
(1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one (CAS 302901-52-6), with molecular formula C16H19BrN2O2 and molecular weight 350.06 g/mol. IUPAC: 2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
Chemical Property Profile of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
Property Insights of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one
The XLogP value of 2.3798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one. With a topological polar surface area (TPSA) of 43.78 Ų, (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-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 (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The CAS number of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 302901-52-6.
What is the molecular formula of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular formula of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is C16H19BrN2O2.
What is the molecular weight of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
The molecular weight of (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one is 350.06 g/mol.
Where can I buy (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
You can request a quote for (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,5r,7r)-2-(4-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.