2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane
TL;DR: 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane (CAS 577787-53-2) is a chemical compound with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 2-(4-ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2-(4-Ethyl-phenyl)-6,6-dimethyl-5,7-dinitro-1,3-diaza-tricyclo[3.3.1.1*3,7*]decane, 2-(4-ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C18H24N4O4 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 1.9496 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.17975 |
| Heavy Atoms | 26 |
| Complexity | 723.9007 |
Chemical Identifiers
| CAS Number | 577787-53-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2N3CC4(CN2CC(C3)(C4(C)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane (CAS 577787-53-2), with molecular formula C18H24N4O4 and molecular weight 360.18 g/mol. IUPAC: 2-(4-ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane
Property Insights of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane
The XLogP value of 1.9496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane. Following Lipinski's Rule of Five, 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane has 0 hydrogen bond donor(s) and 6 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 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane?
The CAS number of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane is 577787-53-2.
What is the molecular formula of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane?
The molecular formula of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane is C18H24N4O4.
What is the molecular weight of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane?
The molecular weight of 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane is 360.18 g/mol.
Where can I buy 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane?
You can request a quote for 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethylphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.