5E-565
TL;DR: 5E-565 (CAS 338755-59-2) 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-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylsulfanyl]acetate
Also Known As: 5E-565, ethyl 2-[({[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}carbonyl)sulfanyl]acetate, ethyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamoylsulfanyl]acetate, ethyl 2-[({1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)sulfanyl]acetate, Ethyl 2-[[1-[(3,4-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 | 870.08167 |
Chemical Identifiers
| CAS Number | 338755-59-2 |
|---|---|
| SMILES | CCOC(=O)CSC(=O)NC1=CC=CN(C1=O)CC2=CC(=C(C=C2)Cl)Cl |
Product Overview
5E-565 (CAS 338755-59-2), with molecular formula C17H16Cl2N2O4S and molecular weight 414.02 g/mol. IUPAC: ethyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylsulfanyl]acetate.
Chemical Property Profile of 5E-565
Property Insights of 5E-565
The XLogP value of 4.0316 indicates that 5E-565 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 5E-565. Following Lipinski's Rule of Five, 5E-565 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 5E-565?
The CAS number of 5E-565 is 338755-59-2.
What is the molecular formula of 5E-565?
The molecular formula of 5E-565 is C17H16Cl2N2O4S.
What is the molecular weight of 5E-565?
The molecular weight of 5E-565 is 414.02 g/mol.
Where can I buy 5E-565?
You can request a quote for 5E-565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-565?
Yes, KEHONG BIO provides custom synthesis services for 5E-565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.