2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol
TL;DR: 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol (CAS 1164526-03-7) is a chemical compound with molecular formula C16H22N4O and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]amino]ethanol
Also Known As: 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol, 2-{[(E)-phenyl(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methylidene]amino}ethanol, REGID_for_CID_657702
| Molecular Formula | C16H22N4O |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.17935 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 1164526-03-7 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)C(=NCCO)C4=CC=CC=C4 |
| InChIKey | NMRVNQPBUUROCP-UHFFFAOYSA-N |
Product Overview
2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol (CAS 1164526-03-7), with molecular formula C16H22N4O and molecular weight 286.18 g/mol. IUPAC: 2-[[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]amino]ethanol.
Chemical Property Profile of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol
Property Insights of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol. With a topological polar surface area (TPSA) of 42.3 Ų, 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol has 1 hydrogen bond donor(s) and 5 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-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol?
The CAS number of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol is 1164526-03-7.
What is the molecular formula of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol?
The molecular formula of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol is C16H22N4O.
What is the molecular weight of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol?
The molecular weight of 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol is 286.18 g/mol.
Where can I buy 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol?
You can request a quote for 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-yl(phenyl)methylene)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.