(E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine
TL;DR: (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine (CAS 1351754-01-2) is a chemical compound with molecular formula C12H15N5O2S and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrothiophen-2-yl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
Also Known As: BAS 00639898, BIM-0019050.P001, J2.392.681D, 2-[(1,3,5-Triazaadamantane-7-yl)iminomethyl]-5-nitrothiophene, (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine
| Molecular Formula | C12H15N5O2S |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.09464 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 1351754-01-2 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)N=CC4=CC=C(S4)[N+](=O)[O-] |
| InChIKey | TUGWKHAXNYXSSS-UHFFFAOYSA-N |
Product Overview
(E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine (CAS 1351754-01-2), with molecular formula C12H15N5O2S and molecular weight 293.09 g/mol. IUPAC: 1-(5-nitrothiophen-2-yl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.
Chemical Property Profile of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine
Property Insights of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine. Following Lipinski's Rule of Five, (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine has 0 hydrogen bond donor(s) and 7 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-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine?
The CAS number of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine is 1351754-01-2.
What is the molecular formula of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine?
The molecular formula of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine is C12H15N5O2S.
What is the molecular weight of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine?
The molecular weight of (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine is 293.09 g/mol.
Where can I buy (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine?
You can request a quote for (E)-N-((5-nitrothiophen-2-yl)methylene)-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-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((5-nitrothiophen-2-yl)methylene)-1,3,5-triazaadamantan-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.