2,2-Dinitroadamantane
TL;DR: 2,2-Dinitroadamantane (CAS 88381-75-3) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitroadamantane
Also Known As: 2,2-Dinitroadamantane, 2,2-Dinitro-adamantane, 2,2-dinitrotricyclo[3.3.1.1~3,7~]decane, J1.091.202D, Tricyclo[3.3.1.13,7]decane,2,2-dinitro-
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 88381-75-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LLYKIMPMZLMAOC-UHFFFAOYSA-N |
Product Overview
2,2-Dinitroadamantane (CAS 88381-75-3), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 2,2-dinitroadamantane.
Chemical Property Profile of 2,2-Dinitroadamantane
Property Insights of 2,2-Dinitroadamantane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitroadamantane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitroadamantane. Following Lipinski's Rule of Five, 2,2-Dinitroadamantane has 0 hydrogen bond donor(s) and 4 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 2,2-Dinitroadamantane?
The CAS number of 2,2-Dinitroadamantane is 88381-75-3.
What is the molecular formula of 2,2-Dinitroadamantane?
The molecular formula of 2,2-Dinitroadamantane is C10H14N2O4.
What is the molecular weight of 2,2-Dinitroadamantane?
The molecular weight of 2,2-Dinitroadamantane is 226.10 g/mol.
Where can I buy 2,2-Dinitroadamantane?
You can request a quote for 2,2-Dinitroadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitroadamantane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.