(1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane
TL;DR: (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane (CAS 300587-57-9) is a chemical compound with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazine
Also Known As: BAS 00337635, A0070/0002927, (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane, {3-nitrophenyl}(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone hydrazone, 7-[(E)-hydrazinylidene(3-nitrophenyl)methyl]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C14H18N6O2 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 0.0633 |
| Topological Polar Surface Area | 91.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.1491 |
| Heavy Atoms | 22 |
| Complexity | 623.20386 |
Chemical Identifiers
| CAS Number | 300587-57-9 |
|---|---|
| SMILES | C1C2(CN3CN1CN(C2)C3)/C(=N/N)/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane (CAS 300587-57-9), with molecular formula C14H18N6O2 and molecular weight 302.15 g/mol. IUPAC: (E)-[(3-nitrophenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazine.
Chemical Property Profile of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane
Property Insights of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane
The XLogP value of 0.0633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane. The TPSA of 91.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane. Following Lipinski's Rule of Five, (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane has 1 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 (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane?
The CAS number of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane is 300587-57-9.
What is the molecular formula of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane?
The molecular formula of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane is C14H18N6O2.
What is the molecular weight of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane?
The molecular weight of (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane is 302.15 g/mol.
Where can I buy (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane?
You can request a quote for (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)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 (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for (1s,3s,5s)-7-((E)-hydrazono(3-nitrophenyl)methyl)-1,3,5-triazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.