VU0496553-1
TL;DR: VU0496553-1 (CAS 899745-15-4) is a chemical compound with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
Also Known As: VU0496553-1, F2757-0009, 2-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-5-(2-oxo-2-(piperidin-1-yl)ethoxy)-4H-pyran-4-one, 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-[2-oxo-2-(piperidin-1-yl)ethoxy]-4H-pyran-4-one, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
| Molecular Formula | C16H20N4O4S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 1.4519 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.1205 |
| Heavy Atoms | 25 |
| Complexity | 782.4371 |
Chemical Identifiers
| CAS Number | 899745-15-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC(=O)C(=CO2)OCC(=O)N3CCCCC3 |
Product Overview
VU0496553-1 (CAS 899745-15-4), with molecular formula C16H20N4O4S and molecular weight 364.12 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one.
Chemical Property Profile of VU0496553-1
Property Insights of VU0496553-1
The XLogP value of 1.4519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0496553-1. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496553-1. Following Lipinski's Rule of Five, VU0496553-1 has 0 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 VU0496553-1?
The CAS number of VU0496553-1 is 899745-15-4.
What is the molecular formula of VU0496553-1?
The molecular formula of VU0496553-1 is C16H20N4O4S.
What is the molecular weight of VU0496553-1?
The molecular weight of VU0496553-1 is 364.12 g/mol.
Where can I buy VU0496553-1?
You can request a quote for VU0496553-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496553-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496553-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.