2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene
TL;DR: 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene (CAS 169525-05-7) is a chemical compound with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene
Also Known As: 2,5-dinitrooctahydropentalene, 2,5-dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene, (3as,6as)-2,5-dinitro-octahydropentalene, Pentalene, octahydro-2,5-dinitro- (9CI), (3aalpha,6aalpha)-Octahydro-2,5-dinitropentalene
| Molecular Formula | C8H12N2O4 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 1.097 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.07971 |
| Heavy Atoms | 14 |
| Complexity | 240.51485 |
Chemical Identifiers
| CAS Number | 169525-05-7 |
|---|---|
| SMILES | C1C2CC(CC2CC1[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene (CAS 169525-05-7), with molecular formula C8H12N2O4 and molecular weight 200.08 g/mol. IUPAC: 2,5-dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene.
Chemical Property Profile of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene
Property Insights of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene
The XLogP value of 1.097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene. Following Lipinski's Rule of Five, 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene 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 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene?
The CAS number of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene is 169525-05-7.
What is the molecular formula of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene?
The molecular formula of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene is C8H12N2O4.
What is the molecular weight of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene?
The molecular weight of 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene is 200.08 g/mol.
Where can I buy 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene?
You can request a quote for 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dinitro-1,2,3,3a,4,5,6,6a-octahydropentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.