N,N-二丁基丁-1-胺2,4,6-三硝基苯酚
TL;DR: N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 (CAS 2627-43-2) is a chemical compound with molecular formula C18H30N4O7 and molecular weight 414.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-二丁基丁-1-胺2,4,6-三硝基苯酚
N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol
Also Known As: N,N-dibutylbutan-1-amine, N,N-dibutylbutan-1-amine; 2,4,6-trinitrophenol, N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol, 2,4,6-trinitrophenol- n,n-dibutylbutan-1-amine(1:1), 2,4,6-Trinitrophenol--N,N-dibutylbutan-1-amine (1/1)
| Molecular Formula | C18H30N4O7 |
|---|---|
| Molecular Weight | 414.21 g/mol |
| LogP | 4.8055 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.21146 |
| Heavy Atoms | 29 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 2627-43-2 |
|---|---|
| SMILES | CCCCN(CCCC)CCCC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FLLPYKVTUSJDSI-UHFFFAOYSA-N |
Product Overview
N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 (CAS 2627-43-2), with molecular formula C18H30N4O7 and molecular weight 414.21 g/mol. IUPAC: N,N-dibutylbutan-1-amine;2,4,6-trinitrophenol.
Chemical Property Profile of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚
Property Insights of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚
The XLogP value of 4.8055 indicates that N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 has 1 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 N,N-二丁基丁-1-胺2,4,6-三硝基苯酚?
The CAS number of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 is 2627-43-2.
What is the molecular formula of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚?
The molecular formula of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 is C18H30N4O7.
What is the molecular weight of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚?
The molecular weight of N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 is 414.21 g/mol.
Where can I buy N,N-二丁基丁-1-胺2,4,6-三硝基苯酚?
You can request a quote for N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-二丁基丁-1-胺2,4,6-三硝基苯酚?
Yes, KEHONG BIO provides custom synthesis services for N,N-二丁基丁-1-胺2,4,6-三硝基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.