8E-336S
TL;DR: 8E-336S (CAS 338981-07-0) is a chemical compound with molecular formula C18H19ClF3N3O2 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[2-(dimethylamino)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 8E-336S, 5-chloro-N-[2-(dimethylamino)ethyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxamide, 5-chloro-N-[2-(dimethylamino)ethyl]-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide, 5-chloro-N-[2-(dimethylamino)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-chloro-N-(2-dimethylaminoethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
| Molecular Formula | C18H19ClF3N3O2 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 2.8602 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1118 |
| Heavy Atoms | 27 |
| Complexity | 878.88605 |
Chemical Identifiers
| CAS Number | 338981-07-0 |
|---|---|
| SMILES | CN(C)CCNC(=O)C1=CN(C(=O)C(=C1)Cl)CC2=CC(=CC=C2)C(F)(F)F |
Product Overview
8E-336S (CAS 338981-07-0), with molecular formula C18H19ClF3N3O2 and molecular weight 401.11 g/mol. IUPAC: 5-chloro-N-[2-(dimethylamino)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 8E-336S
Property Insights of 8E-336S
The XLogP value of 2.8602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8E-336S. With a topological polar surface area (TPSA) of 54.34 Ų, 8E-336S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8E-336S has 1 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 8E-336S?
The CAS number of 8E-336S is 338981-07-0.
What is the molecular formula of 8E-336S?
The molecular formula of 8E-336S is C18H19ClF3N3O2.
What is the molecular weight of 8E-336S?
The molecular weight of 8E-336S is 401.11 g/mol.
Where can I buy 8E-336S?
You can request a quote for 8E-336S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8E-336S?
Yes, KEHONG BIO provides custom synthesis services for 8E-336S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.