AF-399/40703830
TL;DR: AF-399/40703830 (CAS 315698-43-2) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-(hydroxymethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyran-4-one
Also Known As: AF-399/40703830, 3-hydroxy-6-(hydroxymethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4H-pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4H-pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-4H-pyran-4-one
| Molecular Formula | C16H19N3O4 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.13754 |
| Heavy Atoms | 23 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 315698-43-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=C(C(=O)C=C(O2)CO)O)C3=CC=CC=N3 |
| InChIKey | YTNDTWPIXUHQMB-UHFFFAOYSA-N |
Product Overview
AF-399/40703830 (CAS 315698-43-2), with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol. IUPAC: 3-hydroxy-6-(hydroxymethyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pyran-4-one.
Chemical Property Profile of AF-399/40703830
Property Insights of AF-399/40703830
The XLogP value of -0.2 indicates that AF-399/40703830 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40703830. Following Lipinski's Rule of Five, AF-399/40703830 has 2 hydrogen bond donor(s) and 7 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 AF-399/40703830?
The CAS number of AF-399/40703830 is 315698-43-2.
What is the molecular formula of AF-399/40703830?
The molecular formula of AF-399/40703830 is C16H19N3O4.
What is the molecular weight of AF-399/40703830?
The molecular weight of AF-399/40703830 is 317.14 g/mol.
Where can I buy AF-399/40703830?
You can request a quote for AF-399/40703830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40703830?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40703830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.