5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane
TL;DR: 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane (CAS 129886-88-0) is a chemical compound with molecular formula C14H15N5O6 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dinitro-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane, (1s,3s,5s,7s)-5,7-dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane
| Molecular Formula | C14H15N5O6 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.10223 |
| Heavy Atoms | 25 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 129886-88-0 |
|---|---|
| SMILES | C1C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YILKNBDBEQCCFT-UHFFFAOYSA-N |
Product Overview
5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane (CAS 129886-88-0), with molecular formula C14H15N5O6 and molecular weight 349.10 g/mol. IUPAC: 5,7-dinitro-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane
Property Insights of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane. The TPSA of 144.0 Ų indicates high polarity, suggesting 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane has 0 hydrogen bond donor(s) and 8 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 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane?
The CAS number of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane is 129886-88-0.
What is the molecular formula of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane?
The molecular formula of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane is C14H15N5O6.
What is the molecular weight of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane?
The molecular weight of 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane is 349.10 g/mol.
Where can I buy 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane?
You can request a quote for 5,7-Dinitro-2-(4-nitrophenyl)-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 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.