N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide
TL;DR: N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide (CAS 304458-23-9) is a chemical compound with molecular formula C11H6F7N3O5 and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide
Also Known As: BAS 00792228, N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide, N-(2,2,3,3,4,4,4-Heptafluoro-butyl)-3,5-dinitro-benzamide
| Molecular Formula | C11H6F7N3O5 |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 3.0657 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.01956 |
| Heavy Atoms | 26 |
| Complexity | 717.9358 |
Chemical Identifiers
| CAS Number | 304458-23-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide (CAS 304458-23-9), with molecular formula C11H6F7N3O5 and molecular weight 393.02 g/mol. IUPAC: N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide
Property Insights of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide
The XLogP value of 3.0657 indicates that N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide?
The CAS number of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide is 304458-23-9.
What is the molecular formula of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide?
The molecular formula of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide is C11H6F7N3O5.
What is the molecular weight of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide?
The molecular weight of N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide is 393.02 g/mol.
Where can I buy N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide?
You can request a quote for N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,3,3,4,4,4-heptafluorobutyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.