(E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine
TL;DR: (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine (CAS 1164535-73-2) is a chemical compound with molecular formula C12H16N4S and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-yl-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Also Known As: (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine, (1s,3s,5s,E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine, N-(2-thienylmethylene)-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine, N-[(E)-thiophen-2-ylmethylidene]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine
| Molecular Formula | C12H16N4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 0.7251 |
| Topological Polar Surface Area | 22.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.10957 |
| Heavy Atoms | 17 |
| Complexity | 404.0837 |
Chemical Identifiers
| CAS Number | 1164535-73-2 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)N=CC4=CC=CS4 |
Product Overview
(E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine (CAS 1164535-73-2), with molecular formula C12H16N4S and molecular weight 248.11 g/mol. IUPAC: 1-thiophen-2-yl-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.
Chemical Property Profile of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine
Property Insights of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine
The XLogP value of 0.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine. With a topological polar surface area (TPSA) of 22.08 Ų, (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine has 0 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 (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine?
The CAS number of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine is 1164535-73-2.
What is the molecular formula of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine?
The molecular formula of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine is C12H16N4S.
What is the molecular weight of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine?
The molecular weight of (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine is 248.11 g/mol.
Where can I buy (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine?
You can request a quote for (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(thiophen-2-ylmethylene)-1,3,5-triazaadamantan-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.