VU0496555-1
TL;DR: VU0496555-1 (CAS 899984-35-1) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one
Also Known As: VU0496555-1, F2757-0017, 5-(2-(indolin-1-yl)-2-oxoethoxy)-2-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4H-pyran-4-one, 5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethoxy]-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4H-pyran-4-one, 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.0287 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 1061.8373 |
Chemical Identifiers
| CAS Number | 899984-35-1 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC(=O)C(=CO2)OCC(=O)N3CCC4=CC=CC=C43 |
Product Overview
VU0496555-1 (CAS 899984-35-1), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one.
Chemical Property Profile of VU0496555-1
Property Insights of VU0496555-1
The XLogP value of 2.0287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0496555-1. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0496555-1. Following Lipinski's Rule of Five, VU0496555-1 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 VU0496555-1?
The CAS number of VU0496555-1 is 899984-35-1.
What is the molecular formula of VU0496555-1?
The molecular formula of VU0496555-1 is C19H18N4O4S.
What is the molecular weight of VU0496555-1?
The molecular weight of VU0496555-1 is 398.10 g/mol.
Where can I buy VU0496555-1?
You can request a quote for VU0496555-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0496555-1?
Yes, KEHONG BIO provides custom synthesis services for VU0496555-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.