N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide
TL;DR: N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide (CAS 369603-49-6) is a chemical compound with molecular formula C20H21F3N6O and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-[3-(trifluoromethyl)phenyl]nitrous amide
Also Known As: N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide, N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-[3-(trifluoromethyl)phenyl]nitrous amide, N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-N-nitroso-3-(trifluoromethyl)aniline
| Molecular Formula | C20H21F3N6O |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 5.11114 |
| Topological Polar Surface Area | 76.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.17288 |
| Heavy Atoms | 30 |
| Complexity | 1044.4406 |
Chemical Identifiers
| CAS Number | 369603-49-6 |
|---|---|
| SMILES | CCC(C)(C1=NN=NN1C2=C(C=CC=C2C)C)N(C3=CC=CC(=C3)C(F)(F)F)N=O |
Product Overview
N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide (CAS 369603-49-6), with molecular formula C20H21F3N6O and molecular weight 418.17 g/mol. IUPAC: N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-[3-(trifluoromethyl)phenyl]nitrous amide.
Chemical Property Profile of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide
Property Insights of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide
The XLogP value of 5.11114 indicates that N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide. Following Lipinski's Rule of Five, N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide?
The CAS number of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide is 369603-49-6.
What is the molecular formula of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide?
The molecular formula of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide is C20H21F3N6O.
What is the molecular weight of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide?
The molecular weight of N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide is 418.17 g/mol.
Where can I buy N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide?
You can request a quote for N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)butan-2-yl)-N-(3-(trifluoromethyl)phenyl)nitrous amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.