6E-533
TL;DR: 6E-533 (CAS 400084-83-5) is a chemical compound with molecular formula C17H16Cl2N2O4S and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylsulfanyl]acetate
Also Known As: 6E-533, ethyl 2-[({[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}carbonyl)sulfanyl]acetate, ethyl 2-[[1-[(2,6-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamoylsulfanyl]acetate, ethyl 2-[({1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)sulfanyl]acetate, Ethyl 2-[[1-[(2,6-dichlorophenyl)methyl]-2-oxo-pyridin-3-yl]carbamoylsulfanyl]acetate
| Molecular Formula | C17H16Cl2N2O4S |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 4.0316 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.02078 |
| Heavy Atoms | 26 |
| Complexity | 849.83167 |
Chemical Identifiers
| CAS Number | 400084-83-5 |
|---|---|
| SMILES | CCOC(=O)CSC(=O)NC1=CC=CN(C1=O)CC2=C(C=CC=C2Cl)Cl |
Product Overview
6E-533 (CAS 400084-83-5), with molecular formula C17H16Cl2N2O4S and molecular weight 414.02 g/mol. IUPAC: ethyl 2-[[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylsulfanyl]acetate.
Chemical Property Profile of 6E-533
Property Insights of 6E-533
The XLogP value of 4.0316 indicates that 6E-533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6E-533. Following Lipinski's Rule of Five, 6E-533 has 1 hydrogen bond donor(s) and 5 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-533?
The CAS number of 6E-533 is 400084-83-5.
What is the molecular formula of 6E-533?
The molecular formula of 6E-533 is C17H16Cl2N2O4S.
What is the molecular weight of 6E-533?
The molecular weight of 6E-533 is 414.02 g/mol.
Where can I buy 6E-533?
You can request a quote for 6E-533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-533?
Yes, KEHONG BIO provides custom synthesis services for 6E-533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.