N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide
TL;DR: N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide (CAS 799796-05-7) is a chemical compound with molecular formula C18H17ClF6N2O2 and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-amino-4,4-dimethyl-6-oxocyclohexen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-chlorobenzamide
Also Known As: N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide, N-[2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-chlorobenzamide, N-[2-(2-amino-4,4-dimethyl-6-oxocyclohexen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-chlorobenzamide
| Molecular Formula | C18H17ClF6N2O2 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 4.5351 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.0883 |
| Heavy Atoms | 29 |
| Complexity | 859.8377 |
Chemical Identifiers
| CAS Number | 799796-05-7 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)Cl)N)C |
Product Overview
N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide (CAS 799796-05-7), with molecular formula C18H17ClF6N2O2 and molecular weight 442.09 g/mol. IUPAC: N-[2-(2-amino-4,4-dimethyl-6-oxocyclohexen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-chlorobenzamide.
Chemical Property Profile of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide
Property Insights of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide
The XLogP value of 4.5351 indicates that N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide. Following Lipinski's Rule of Five, N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide has 2 hydrogen bond donor(s) and 3 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-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide?
The CAS number of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide is 799796-05-7.
What is the molecular formula of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide?
The molecular formula of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide is C18H17ClF6N2O2.
What is the molecular weight of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide?
The molecular weight of N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide is 442.09 g/mol.
Where can I buy N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide?
You can request a quote for N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide 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-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.