6E-502
TL;DR: 6E-502 (CAS 338783-87-2) is a chemical compound with molecular formula C20H13Cl2F3N2O2S and molecular weight 472.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-(trifluoromethyl)phenyl] N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamothioate
Also Known As: 6E-502, S-[3-(trifluoromethyl)phenyl] N-[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]carbamothioate, N-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-{[3-(trifluoromethyl)phenyl]sulfanyl}formamide, S-[3-(trifluoromethyl)phenyl] N-[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamothioate, N-{1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl}-1-{[3-(trifluoromethyl)phenyl]sulfanyl}formamide
| Molecular Formula | C20H13Cl2F3N2O2S |
|---|---|
| Molecular Weight | 472.00 g/mol |
| LogP | 6.5464 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0027 |
| Heavy Atoms | 30 |
| Complexity | 1149.3809 |
Chemical Identifiers
| CAS Number | 338783-87-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(=O)NC2=CC=CN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C(F)(F)F |
Product Overview
6E-502 (CAS 338783-87-2), with molecular formula C20H13Cl2F3N2O2S and molecular weight 472.00 g/mol. IUPAC: S-[3-(trifluoromethyl)phenyl] N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamothioate.
Chemical Property Profile of 6E-502
Property Insights of 6E-502
The XLogP value of 6.5464 indicates that 6E-502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 6E-502 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6E-502 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6E-502?
The CAS number of 6E-502 is 338783-87-2.
What is the molecular formula of 6E-502?
The molecular formula of 6E-502 is C20H13Cl2F3N2O2S.
What is the molecular weight of 6E-502?
The molecular weight of 6E-502 is 472.00 g/mol.
Where can I buy 6E-502?
You can request a quote for 6E-502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-502?
Yes, KEHONG BIO provides custom synthesis services for 6E-502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.