4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol
TL;DR: 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol (CAS 351995-92-1) is a chemical compound with molecular formula C14H18N4O and molecular weight 258.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yliminomethyl)phenol
Also Known As: 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol, 4-[(E)-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylimino)methyl]phenol
| Molecular Formula | C14H18N4O |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 0.3692 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.14807 |
| Heavy Atoms | 19 |
| Complexity | 475.39798 |
Chemical Identifiers
| CAS Number | 351995-92-1 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)N=CC4=CC=C(C=C4)O |
Product Overview
4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol (CAS 351995-92-1), with molecular formula C14H18N4O and molecular weight 258.15 g/mol. IUPAC: 4-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yliminomethyl)phenol.
Chemical Property Profile of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol
Property Insights of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol
The XLogP value of 0.3692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol. With a topological polar surface area (TPSA) of 42.31 Ų, 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol 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 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol?
The CAS number of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol is 351995-92-1.
What is the molecular formula of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol?
The molecular formula of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol is C14H18N4O.
What is the molecular weight of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol?
The molecular weight of 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol is 258.15 g/mol.
Where can I buy 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol?
You can request a quote for 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((1s,3s,5s)-1,3,5-triazaadamantan-7-ylimino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.