2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane
TL;DR: 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane (CAS 697230-41-4) is a chemical compound with molecular formula C19H28N2O and molecular weight 300.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-2-(4-propan-2-yloxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: BAS 07296973, 2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane, A3615/0153251, (1r,5R,7S)-2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane, 1-(5,7-dimethyl-1,3-diazatricyclo[3.3.1.1<3,7>]dec-2-yl)-4-(methylethoxy)benze ne
| Molecular Formula | C19H28N2O |
|---|---|
| Molecular Weight | 300.22 g/mol |
| LogP | 3.5199 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.22015 |
| Heavy Atoms | 22 |
| Complexity | 529.30286 |
Chemical Identifiers
| CAS Number | 697230-41-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2N3CC4(CC(C3)(CN2C4)C)C |
Product Overview
2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane (CAS 697230-41-4), with molecular formula C19H28N2O and molecular weight 300.22 g/mol. IUPAC: 5,7-dimethyl-2-(4-propan-2-yloxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane
Property Insights of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane
The XLogP value of 3.5199 indicates that 2-(4-Isopropoxyphenyl)-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, 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Isopropoxyphenyl)-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 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane?
The CAS number of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane is 697230-41-4.
What is the molecular formula of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane?
The molecular formula of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane is C19H28N2O.
What is the molecular weight of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane?
The molecular weight of 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane is 300.22 g/mol.
Where can I buy 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane?
You can request a quote for 2-(4-Isopropoxyphenyl)-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 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Isopropoxyphenyl)-5,7-dimethyl-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.