N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide
TL;DR: N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide (CAS 587014-38-8) is a chemical compound with molecular formula C24H23F6N3O2 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4,4-dimethyl-2-(4-methylanilino)-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide
Also Known As: N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide, N-(2-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)pyridine-4-carboxamide, N-[2-[4,4-dimethyl-2-(4-methylanilino)-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide
| Molecular Formula | C24H23F6N3O2 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.73852 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.16943 |
| Heavy Atoms | 35 |
| Complexity | 1122.5897 |
Chemical Identifiers
| CAS Number | 587014-38-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=NC=C3 |
Product Overview
N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide (CAS 587014-38-8), with molecular formula C24H23F6N3O2 and molecular weight 499.17 g/mol. IUPAC: N-[2-[4,4-dimethyl-2-(4-methylanilino)-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-4-carboxamide.
Chemical Property Profile of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide
Property Insights of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide
The XLogP value of 5.73852 indicates that N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide. Following Lipinski's Rule of Five, N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide 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-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide?
The CAS number of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide is 587014-38-8.
What is the molecular formula of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide?
The molecular formula of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide is C24H23F6N3O2.
What is the molecular weight of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide?
The molecular weight of N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide is 499.17 g/mol.
Where can I buy N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide?
You can request a quote for N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(4,4-dimethyl-6-oxo-2-(p-tolylamino)cyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.