1,1,1-Trinitro-4,4-bis(difluoroamino)pentane
TL;DR: 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane (CAS 18273-24-0) is a chemical compound with molecular formula C5H7F4N5O6 and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,2-N,2-N',2-N'-tetrafluoro-5,5,5-trinitropentane-2,2-diamine
Also Known As: 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane, tetra-N-fluoro-5,5,5-trinitro-pentane-2,2-diamine, N,N,N',N'-Tetrafluoro-5,5,5-trinitro-2,2-pentane-diamine, 2-N,2-N,2-N',2-N'-tetrafluoro-5,5,5-trinitropentane-2,2-diamine, N,N'-(5,5,5-Trinitropentane-2,2-diyl)bis(N-fluorohypofluorous amide)
| Molecular Formula | C5H7F4N5O6 |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.03323 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 18273-24-0 |
|---|---|
| SMILES | CC(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(N(F)F)N(F)F |
| InChIKey | OXLLHBCDWWPZOI-UHFFFAOYSA-N |
Product Overview
1,1,1-Trinitro-4,4-bis(difluoroamino)pentane (CAS 18273-24-0), with molecular formula C5H7F4N5O6 and molecular weight 309.03 g/mol. IUPAC: 2-N,2-N,2-N',2-N'-tetrafluoro-5,5,5-trinitropentane-2,2-diamine.
Chemical Property Profile of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane
Property Insights of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane. The TPSA of 144.0 Ų indicates high polarity, suggesting 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane?
The CAS number of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane is 18273-24-0.
What is the molecular formula of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane?
The molecular formula of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane is C5H7F4N5O6.
What is the molecular weight of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane?
The molecular weight of 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane is 309.03 g/mol.
Where can I buy 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane?
You can request a quote for 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trinitro-4,4-bis(difluoroamino)pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.