9E-329S
TL;DR: 9E-329S (CAS 338977-42-7) is a chemical compound with molecular formula C24H23F3N2O2 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-329S, N-[4-(tert-butyl)phenyl]-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide, N-(4-tert-butylphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-(4-tert-butylphenyl)-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, 2-oxo-N-(4-tert-butylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
| Molecular Formula | C24H23F3N2O2 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.4652 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.17117 |
| Heavy Atoms | 31 |
| Complexity | 1123.7166 |
Chemical Identifiers
| CAS Number | 338977-42-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F |
Product Overview
9E-329S (CAS 338977-42-7), with molecular formula C24H23F3N2O2 and molecular weight 428.17 g/mol. IUPAC: N-(4-tert-butylphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-329S
Property Insights of 9E-329S
The XLogP value of 5.4652 indicates that 9E-329S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 9E-329S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-329S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9E-329S?
The CAS number of 9E-329S is 338977-42-7.
What is the molecular formula of 9E-329S?
The molecular formula of 9E-329S is C24H23F3N2O2.
What is the molecular weight of 9E-329S?
The molecular weight of 9E-329S is 428.17 g/mol.
Where can I buy 9E-329S?
You can request a quote for 9E-329S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-329S?
Yes, KEHONG BIO provides custom synthesis services for 9E-329S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.