5E-518
TL;DR: 5E-518 (CAS 400083-09-2) is a chemical compound with molecular formula C24H21ClF2N2O4 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-propan-2-ylpyridine-3-carboxamide
Also Known As: 5E-518, N-[(2-chlorophenyl)methyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-propan-2-ylpyridine-3-carboxamide, N-(2-chlorobenzyl)-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide, N-[(2-chlorophenyl)methyl]-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C24H21ClF2N2O4 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 4.9223 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.11578 |
| Heavy Atoms | 33 |
| Complexity | 1259.2068 |
Chemical Identifiers
| CAS Number | 400083-09-2 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1Cl)C(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F |
Product Overview
5E-518 (CAS 400083-09-2), with molecular formula C24H21ClF2N2O4 and molecular weight 474.12 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-propan-2-ylpyridine-3-carboxamide.
Chemical Property Profile of 5E-518
Property Insights of 5E-518
The XLogP value of 4.9223 indicates that 5E-518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-518. Following Lipinski's Rule of Five, 5E-518 has 0 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-518?
The CAS number of 5E-518 is 400083-09-2.
What is the molecular formula of 5E-518?
The molecular formula of 5E-518 is C24H21ClF2N2O4.
What is the molecular weight of 5E-518?
The molecular weight of 5E-518 is 474.12 g/mol.
Where can I buy 5E-518?
You can request a quote for 5E-518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-518?
Yes, KEHONG BIO provides custom synthesis services for 5E-518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.