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CAS 957054-30-7 Pictilisib molecular structure lightbox
CAS RN: 957054-30-7

Pictilisib

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250130 10mg In stock Inquiry
Batchno.20250517 250mg In stock Inquiry
Batchno.20251022 50mg In stock Inquiry
  • Product code: starshine_CAS957054-30-7
  • Purity/Analytical Methods: >99.0%
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957054-30-7 / 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

Standard CAS: 957054-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957054-30-7
Multi CAS
Yes
Molecular Formula
C23H27N7O3S2
Molecular Weight
513.600000
Exact Mass
513.161680
InChI
InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
InChIKey
LHNIIDJUOCFXAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
9
H-bond donors
1
Molar refractivity
137.23
TPSA
107.55

LogP / Solubility

WLOGP
2.15
MLOGP
1.93
XLogP3
1.6
Consensus LogP
1.89
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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