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CAS 956905-27-4 PD04217903 molecular structure lightbox
CAS RN: 956905-27-4

PD04217903

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 10mg In stock Inquiry
Batchno.20250528 2mg Out of stock Inquiry
Batchno.20260120 50mg In stock Inquiry
Batchno.20260211 5mg In stock Inquiry
Batchno.20250325 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS956905-27-4
  • Purity/Analytical Methods: >99.0%
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956905-27-4 / 2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

Standard CAS: 956905-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
956905-27-4
Multi CAS
Yes
Molecular Formula
C19H16N8O
Molecular Weight
372.400000
Exact Mass
372.144707
InChI
InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
InChIKey
PDMUGYOXRHVNMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
102.27
TPSA
107.43

LogP / Solubility

WLOGP
1.67
MLOGP
1.49
XLogP3
0.7
Consensus LogP
1.29
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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