5E-501
TL;DR: 5E-501 (CAS 400082-67-9) is a chemical compound with molecular formula C14H9F2NO5 and molecular weight 309.04 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]-2-oxopyridine-3-carboxylic acid
Also Known As: 5E-501, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid, 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxylic acid, 1-[(2,2-difluorobenzo[1,3]dioxol-5-yl)methyl]-2-oxo-pyridine-3-carboxylic Acid, 1-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
| Molecular Formula | C14H9F2NO5 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 1.9163 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.0449 |
| Heavy Atoms | 22 |
| Complexity | 815.1208 |
Chemical Identifiers
| CAS Number | 400082-67-9 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)C(=O)O)CC2=CC3=C(C=C2)OC(O3)(F)F |
Product Overview
5E-501 (CAS 400082-67-9), with molecular formula C14H9F2NO5 and molecular weight 309.04 g/mol. IUPAC: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carboxylic acid.
Chemical Property Profile of 5E-501
Property Insights of 5E-501
The XLogP value of 1.9163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5E-501. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-501. Following Lipinski's Rule of Five, 5E-501 has 1 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-501?
The CAS number of 5E-501 is 400082-67-9.
What is the molecular formula of 5E-501?
The molecular formula of 5E-501 is C14H9F2NO5.
What is the molecular weight of 5E-501?
The molecular weight of 5E-501 is 309.04 g/mol.
Where can I buy 5E-501?
You can request a quote for 5E-501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-501?
Yes, KEHONG BIO provides custom synthesis services for 5E-501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.