(1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane
TL;DR: (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane (CAS 587009-79-8) is a chemical compound with molecular formula C19H26N2O and molecular weight 298.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(4-prop-2-enoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: BAS 07296974, (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane, 2-(4-Allyloxy-phenyl)-5,7-dimethyl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decane, 2-[4-(ALLYLOXY)PHENYL]-5,7-DIMETHYL-1,3-DIAZATRICYCLO[3.3.1.1~3,7~]DECANE, 5,7-dimethyl-2-[4-(prop-2-en-1-yloxy)phenyl]-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C19H26N2O |
|---|---|
| Molecular Weight | 298.20 g/mol |
| LogP | 3.2975 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.2045 |
| Heavy Atoms | 22 |
| Complexity | 543.6029 |
Chemical Identifiers
| CAS Number | 587009-79-8 |
|---|---|
| SMILES | CC12CC3(CN(C1)C(N(C2)C3)C4=CC=C(C=C4)OCC=C)C |
Product Overview
(1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane (CAS 587009-79-8), with molecular formula C19H26N2O and molecular weight 298.20 g/mol. IUPAC: 5,7-dimethyl-2-(4-prop-2-enoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane
Property Insights of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane
The XLogP value of 3.2975 indicates that (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane 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 (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane?
The CAS number of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane is 587009-79-8.
What is the molecular formula of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane?
The molecular formula of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane is C19H26N2O.
What is the molecular weight of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane?
The molecular weight of (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane is 298.20 g/mol.
Where can I buy (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane?
You can request a quote for (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane 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-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,5r,7r)-2-(4-(allyloxy)phenyl)-5,7-dimethyl-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.