VU0496558-1
TL;DR: VU0496558-1 (CAS 899984-39-5) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl]oxyacetamide
Also Known As: VU0496558-1, F2757-0029, N-(4-ethylphenyl)-2-[(6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl)oxy]acetamide, N-(4-ethylphenyl)-2-((6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetamide, N-(4-ethylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl]oxyacetamide
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.6405 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 997.6683 |
Chemical Identifiers
| CAS Number | 899984-39-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)COC2=COC(=CC2=O)CSC3=NN=CN3C |
Product Overview
VU0496558-1 (CAS 899984-39-5), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: N-(4-ethylphenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl]oxyacetamide.
Chemical Property Profile of VU0496558-1
Property Insights of VU0496558-1
The XLogP value of 2.6405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0496558-1. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496558-1. Following Lipinski's Rule of Five, VU0496558-1 has 1 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 VU0496558-1?
The CAS number of VU0496558-1 is 899984-39-5.
What is the molecular formula of VU0496558-1?
The molecular formula of VU0496558-1 is C19H20N4O4S.
What is the molecular weight of VU0496558-1?
The molecular weight of VU0496558-1 is 400.12 g/mol.
Where can I buy VU0496558-1?
You can request a quote for VU0496558-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496558-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496558-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.