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CAS 957209-68-6 NVP-QAV-572 molecular structure lightbox
CAS RN: 957209-68-6

NVP-QAV-572

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS957209-68-6
  • Purity/Analytical Methods: >99.0%
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957209-68-6 / 1-[2-[2-(2-fluoroethyl)tetrazol-5-yl]ethyl]-3-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]urea

Standard CAS: 957209-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
957209-68-6
Multi CAS
No
Molecular Formula
C17F2H19N7O3S2
Molecular Weight
471.500000
Exact Mass
471.095886
InChI
InChI=1S/C17H19F2N7O3S2/c1-10-15(11-3-4-13(12(19)9-11)31(2,28)29)30-17(21-10)22-16(27)20-7-5-14-23-25-26(24-14)8-6-18/h3-4,9H,5-8H2,1-2H3,(H2,20,21,22,27)
InChIKey
UGEZRRNNFHAJTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
2
Molar refractivity
109.87
TPSA
131.76

LogP / Solubility

WLOGP
1.98
MLOGP
1.78
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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