(E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane
TL;DR: (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane (CAS 331465-20-4) is a chemical compound with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(E)-[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]amino]propan-2-imine
Also Known As: (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane, (1s,3s,5s)-7-((E)-(3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane, 7-[(E)-(3-nitrophenyl)(propan-2-ylidenehydrazinylidene)methyl]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane, N-Isopropylidene-N'-[(3-nitro-phenyl)-(1,3,5-triaza-tricyclo[3.3.1.1*3,7*]dec-7-yl)-methylene]-hydrazine
| Molecular Formula | C17H22N6O2 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 1.5854 |
| Topological Polar Surface Area | 77.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.18042 |
| Heavy Atoms | 25 |
| Complexity | 732.8723 |
Chemical Identifiers
| CAS Number | 331465-20-4 |
|---|---|
| SMILES | CC(=N/N=C(\C1=CC(=CC=C1)[N+](=O)[O-])/C23CN4CN(C2)CN(C3)C4)C |
Product Overview
(E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane (CAS 331465-20-4), with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol. IUPAC: (E)-N-[(E)-[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]amino]propan-2-imine.
Chemical Property Profile of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane
Property Insights of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane
The XLogP value of 1.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane. The TPSA of 77.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane. Following Lipinski's Rule of Five, (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane 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)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane?
The CAS number of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane is 331465-20-4.
What is the molecular formula of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane?
The molecular formula of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane is C17H22N6O2.
What is the molecular weight of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane?
The molecular weight of (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane is 342.18 g/mol.
Where can I buy (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane?
You can request a quote for (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-((3-nitrophenyl)(propan-2-ylidenehydrazono)methyl)-1,3,5-triazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.