N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide
TL;DR: N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide (CAS 586993-20-6) is a chemical compound with molecular formula C25H23ClF6N2O3 and molecular weight 548.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(4-chloroanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
Also Known As: N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide, N-(2-{2-[(4-chlorophenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide, N-[2-[2-(4-chloroanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
| Molecular Formula | C25H23ClF6N2O3 |
|---|---|
| Molecular Weight | 548.13 g/mol |
| LogP | 6.6971 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.1301 |
| Heavy Atoms | 37 |
| Complexity | 1188.9182 |
Chemical Identifiers
| CAS Number | 586993-20-6 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)Cl)C |
Product Overview
N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide (CAS 586993-20-6), with molecular formula C25H23ClF6N2O3 and molecular weight 548.13 g/mol. IUPAC: N-[2-[2-(4-chloroanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide.
Chemical Property Profile of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide
Property Insights of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide
The XLogP value of 6.6971 indicates that N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide has 2 hydrogen bond donor(s) and 4 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-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide?
The CAS number of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide is 586993-20-6.
What is the molecular formula of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide?
The molecular formula of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide is C25H23ClF6N2O3.
What is the molecular weight of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide?
The molecular weight of N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide is 548.13 g/mol.
Where can I buy N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide?
You can request a quote for N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide 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-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(2-((4-chlorophenyl)amino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.