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CAS 37762-06-4 ZAPRINAST molecular structure lightbox
CAS RN: 37762-06-4

ZAPRINAST

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7 package records0 with current stock1 grade group
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Batchno.20260226 100mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS37762-06-4
  • Purity/Analytical Methods: >99.0%
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37762-06-4 / 5-(2-propoxyphenyl)-3a,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

Standard CAS: 37762-06-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37762-06-4
Multi CAS
Yes
Molecular Formula
C13H13N5O2
Molecular Weight
271.270000
Exact Mass
271.106925
InChI
InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
InChIKey
REZGGXNDEMKIQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
72.99
TPSA
87.77

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
2.1
Consensus LogP
1.64
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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