N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide
TL;DR: N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide (CAS 577960-10-2) is a chemical compound with molecular formula C27H28F6N2O2 and molecular weight 526.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide
Also Known As: N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide, N-(2-{2-[(3,4-dimethylphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide, N-[2-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide
| Molecular Formula | C27H28F6N2O2 |
|---|---|
| Molecular Weight | 526.21 g/mol |
| LogP | 6.96036 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.2055 |
| Heavy Atoms | 37 |
| Complexity | 1227.0232 |
Chemical Identifiers
| CAS Number | 577960-10-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C2=C(CC(CC2=O)(C)C)NC3=CC(=C(C=C3)C)C)(C(F)(F)F)C(F)(F)F |
Product Overview
N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide (CAS 577960-10-2), with molecular formula C27H28F6N2O2 and molecular weight 526.21 g/mol. IUPAC: N-[2-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide.
Chemical Property Profile of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide
Property Insights of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide
The XLogP value of 6.96036 indicates that N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide has 2 hydrogen bond donor(s) and 3 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-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide?
The CAS number of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide is 577960-10-2.
What is the molecular formula of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide?
The molecular formula of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide is C27H28F6N2O2.
What is the molecular weight of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide?
The molecular weight of N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide is 526.21 g/mol.
Where can I buy N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide?
You can request a quote for N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide 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-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(2-((3,4-dimethylphenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.