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VU0615959-1 structure
Fine Chemical

VU0615959-1

TL;DR: VU0615959-1 (CAS 1105214-01-4) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.1416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-benzyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

Also Known As: VU0615959-1, F3382-6992, N-benzyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide, N-benzyl-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide, 2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-(phenylmethyl)acetamide

CAS Number
1105214-01-4
Molecular Formula
C21H21N5O2S
Molecular Weight
407.1416 g/mol
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Technical Specifications

Molecular FormulaC21H21N5O2S
Molecular Weight407.1416 g/mol
XLogP3.1
Topological Polar Surface Area (TPSA)105.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds7
Exact Mass407.1416 Da
Heavy Atoms29
Complexity585.0
SMILESCCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NCC4=CC=CC=C4
InChIKeyPXDGCWYFPDQSDG-UHFFFAOYSA-N

Chemical Property Profile of VU0615959-1

XLogP
3.1
TPSA (Topological Polar Surface Area)
105.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
7
Heavy Atoms
29
Complexity
585.0
Exact Mass
407.1416
Monoisotopic Mass
407.1416
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of VU0615959-1

The XLogP value of 3.1 indicates that VU0615959-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0615959-1. Following Lipinski's Rule of Five, VU0615959-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of VU0615959-1?

The CAS number of VU0615959-1 is 1105214-01-4.

What is the molecular formula of VU0615959-1?

The molecular formula of VU0615959-1 is C21H21N5O2S.

What is the molecular weight of VU0615959-1?

The molecular weight of VU0615959-1 is 407.1416 g/mol.

Where can I buy VU0615959-1?

You can request a quote for VU0615959-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for VU0615959-1?

Yes, CoreyChem provides custom synthesis services for VU0615959-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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