4a,8a-Dinitrodecahydronaphthalene
TL;DR: 4a,8a-Dinitrodecahydronaphthalene (CAS 5453-86-1) is a chemical compound with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,8a-dinitro-1,2,3,4,5,6,7,8-octahydronaphthalene
Also Known As: 4a,8a-dinitrodecahydronaphthalene, trans-9,10-Dinitroanilin, 4a,8a-dinitro-1,2,3,4,5,6,7,8-octahydronaphthalene
| Molecular Formula | C10H16N2O4 |
|---|---|
| Molecular Weight | 228.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.11101 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 5453-86-1 |
|---|---|
| SMILES | C1CCC2(CCCCC2(C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CQGVSBSSFFMSRC-UHFFFAOYSA-N |
Product Overview
4a,8a-Dinitrodecahydronaphthalene (CAS 5453-86-1), with molecular formula C10H16N2O4 and molecular weight 228.11 g/mol. IUPAC: 4a,8a-dinitro-1,2,3,4,5,6,7,8-octahydronaphthalene.
Chemical Property Profile of 4a,8a-Dinitrodecahydronaphthalene
Property Insights of 4a,8a-Dinitrodecahydronaphthalene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,8a-Dinitrodecahydronaphthalene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4a,8a-Dinitrodecahydronaphthalene. Following Lipinski's Rule of Five, 4a,8a-Dinitrodecahydronaphthalene 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 4a,8a-Dinitrodecahydronaphthalene?
The CAS number of 4a,8a-Dinitrodecahydronaphthalene is 5453-86-1.
What is the molecular formula of 4a,8a-Dinitrodecahydronaphthalene?
The molecular formula of 4a,8a-Dinitrodecahydronaphthalene is C10H16N2O4.
What is the molecular weight of 4a,8a-Dinitrodecahydronaphthalene?
The molecular weight of 4a,8a-Dinitrodecahydronaphthalene is 228.11 g/mol.
Where can I buy 4a,8a-Dinitrodecahydronaphthalene?
You can request a quote for 4a,8a-Dinitrodecahydronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8a-Dinitrodecahydronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 4a,8a-Dinitrodecahydronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.