6E-529
TL;DR: 6E-529 (CAS 400084-79-9) is a chemical compound with molecular formula C15H11Cl2F3N2O3 and molecular weight 394.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate
Also Known As: 6E-529, 2,2,2-trifluoroethyl N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamate, 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamate, 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-pyridin-3-yl]carbamate, 2,2,2-trifluoroethyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate
| Molecular Formula | C15H11Cl2F3N2O3 |
|---|---|
| Molecular Weight | 394.01 g/mol |
| LogP | 4.3142 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0099 |
| Heavy Atoms | 25 |
| Complexity | 817.2518 |
Chemical Identifiers
| CAS Number | 400084-79-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=CC=C(C2=O)NC(=O)OCC(F)(F)F)Cl |
Product Overview
6E-529 (CAS 400084-79-9), with molecular formula C15H11Cl2F3N2O3 and molecular weight 394.01 g/mol. IUPAC: 2,2,2-trifluoroethyl N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamate.
Chemical Property Profile of 6E-529
Property Insights of 6E-529
The XLogP value of 4.3142 indicates that 6E-529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-529. Following Lipinski's Rule of Five, 6E-529 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 6E-529?
The CAS number of 6E-529 is 400084-79-9.
What is the molecular formula of 6E-529?
The molecular formula of 6E-529 is C15H11Cl2F3N2O3.
What is the molecular weight of 6E-529?
The molecular weight of 6E-529 is 394.01 g/mol.
Where can I buy 6E-529?
You can request a quote for 6E-529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-529?
Yes, KEHONG BIO provides custom synthesis services for 6E-529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.