(1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
TL;DR: (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol (CAS 878441-63-5) is a chemical compound with molecular formula C17H23BrN2O2 and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Also Known As: BAS 13776025, (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol, (5s,7s)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
| Molecular Formula | C17H23BrN2O2 |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 2.4746 |
| Topological Polar Surface Area | 35.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.0943 |
| Heavy Atoms | 22 |
| Complexity | 582.6765 |
Chemical Identifiers
| CAS Number | 878441-63-5 |
|---|---|
| SMILES | CC12CN3CC(C1O)(CN(C2)C3C4=C(C=CC(=C4)Br)OC)C |
Product Overview
(1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol (CAS 878441-63-5), with molecular formula C17H23BrN2O2 and molecular weight 366.09 g/mol. IUPAC: 2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
Chemical Property Profile of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
Property Insights of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
The XLogP value of 2.4746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol. With a topological polar surface area (TPSA) of 35.94 Ų, (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol 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,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The CAS number of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is 878441-63-5.
What is the molecular formula of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The molecular formula of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is C17H23BrN2O2.
What is the molecular weight of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
The molecular weight of (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol is 366.09 g/mol.
Where can I buy (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
You can request a quote for (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (1r,5R,7S)-2-(5-bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.