1,3-Dimethyl-5-nitroadamantane
TL;DR: 1,3-Dimethyl-5-nitroadamantane (CAS 6588-68-7) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-nitroadamantane
Also Known As: 1,3-Dimethyl-5-nitroadamantane, 3,5-DiMethyl-1-nitroadaMantane, Adamantane Impurity 1, Adamantane Impurity 7, DIMETHYL NITROADAMANTANE
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6588-68-7 |
|---|---|
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)[N+](=O)[O-])C |
| InChIKey | FUZZFPVZJGQAKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-5-nitroadamantane (CAS 6588-68-7), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 1,3-dimethyl-5-nitroadamantane.
Chemical Property Profile of 1,3-Dimethyl-5-nitroadamantane
Property Insights of 1,3-Dimethyl-5-nitroadamantane
The XLogP value of 3.5 indicates that 1,3-Dimethyl-5-nitroadamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,3-Dimethyl-5-nitroadamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-nitroadamantane has 0 hydrogen bond donor(s) and 2 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 1,3-Dimethyl-5-nitroadamantane?
The CAS number of 1,3-Dimethyl-5-nitroadamantane is 6588-68-7.
What is the molecular formula of 1,3-Dimethyl-5-nitroadamantane?
The molecular formula of 1,3-Dimethyl-5-nitroadamantane is C12H19NO2.
What is the molecular weight of 1,3-Dimethyl-5-nitroadamantane?
The molecular weight of 1,3-Dimethyl-5-nitroadamantane is 209.14 g/mol.
Where can I buy 1,3-Dimethyl-5-nitroadamantane?
You can request a quote for 1,3-Dimethyl-5-nitroadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-nitroadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-nitroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.