5E-515
TL;DR: 5E-515 (CAS 400083-06-9) is a chemical compound with molecular formula C22H18F2N2O5 and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
Also Known As: 5E-515, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxybenzyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide, 1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C22H18F2N2O5 |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 3.1567 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11838 |
| Heavy Atoms | 31 |
| Complexity | 1192.5139 |
Chemical Identifiers
| CAS Number | 400083-06-9 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F |
Product Overview
5E-515 (CAS 400083-06-9), with molecular formula C22H18F2N2O5 and molecular weight 428.12 g/mol. IUPAC: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
Chemical Property Profile of 5E-515
Property Insights of 5E-515
The XLogP value of 3.1567 indicates that 5E-515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-515. Following Lipinski's Rule of Five, 5E-515 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-515?
The CAS number of 5E-515 is 400083-06-9.
What is the molecular formula of 5E-515?
The molecular formula of 5E-515 is C22H18F2N2O5.
What is the molecular weight of 5E-515?
The molecular weight of 5E-515 is 428.12 g/mol.
Where can I buy 5E-515?
You can request a quote for 5E-515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-515?
Yes, KEHONG BIO provides custom synthesis services for 5E-515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.