5E-562
TL;DR: 5E-562 (CAS 338755-50-3) is a chemical compound with molecular formula C21H17Cl2N3O4 and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylamino]benzoate
Also Known As: 5E-562, methyl 2-[({[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}carbonyl)amino]benzenecarboxylate, methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxopyridin-3-yl]carbamoylamino]benzoate, methyl 2-[({1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)amino]benzoate, Methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-pyridin-3-yl]carbamoylamino]benzoate
| Molecular Formula | C21H17Cl2N3O4 |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.634 |
| Topological Polar Surface Area | 89.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.0596 |
| Heavy Atoms | 30 |
| Complexity | 1160.9835 |
Chemical Identifiers
| CAS Number | 338755-50-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CN(C2=O)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
5E-562 (CAS 338755-50-3), with molecular formula C21H17Cl2N3O4 and molecular weight 445.06 g/mol. IUPAC: methyl 2-[[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylamino]benzoate.
Chemical Property Profile of 5E-562
Property Insights of 5E-562
The XLogP value of 4.634 indicates that 5E-562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-562. Following Lipinski's Rule of Five, 5E-562 has 2 hydrogen bond donor(s) and 4 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-562?
The CAS number of 5E-562 is 338755-50-3.
What is the molecular formula of 5E-562?
The molecular formula of 5E-562 is C21H17Cl2N3O4.
What is the molecular weight of 5E-562?
The molecular weight of 5E-562 is 445.06 g/mol.
Where can I buy 5E-562?
You can request a quote for 5E-562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-562?
Yes, KEHONG BIO provides custom synthesis services for 5E-562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.