1,3,5,7-Tetranitroadamantane
TL;DR: 1,3,5,7-Tetranitroadamantane (CAS 75476-36-7) is a chemical compound with molecular formula C10H12N4O8 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5,7-tetranitroadamantane
Also Known As: 1,3,5,7-Tetranitroadamantane, Vildagliptin Impurity 32, Vildagliptin Impurity 39, Ex210
| Molecular Formula | C10H12N4O8 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.06552 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 75476-36-7 |
|---|---|
| SMILES | C1C2(CC3(CC1(CC(C2)(C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JGOQKNQVXMIWDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5,7-Tetranitroadamantane (CAS 75476-36-7), with molecular formula C10H12N4O8 and molecular weight 316.07 g/mol. IUPAC: 1,3,5,7-tetranitroadamantane.
Chemical Property Profile of 1,3,5,7-Tetranitroadamantane
Property Insights of 1,3,5,7-Tetranitroadamantane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5,7-Tetranitroadamantane. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,3,5,7-Tetranitroadamantane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5,7-Tetranitroadamantane 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 1,3,5,7-Tetranitroadamantane?
The CAS number of 1,3,5,7-Tetranitroadamantane is 75476-36-7.
What is the molecular formula of 1,3,5,7-Tetranitroadamantane?
The molecular formula of 1,3,5,7-Tetranitroadamantane is C10H12N4O8.
What is the molecular weight of 1,3,5,7-Tetranitroadamantane?
The molecular weight of 1,3,5,7-Tetranitroadamantane is 316.07 g/mol.
Where can I buy 1,3,5,7-Tetranitroadamantane?
You can request a quote for 1,3,5,7-Tetranitroadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5,7-Tetranitroadamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5,7-Tetranitroadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.