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CAS 957054-33-0 GDC-0941 Bimesylate molecular structure lightbox
CAS RN: 957054-33-0

GDC-0941 Bimesylate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 5mg / 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS957054-33-0
  • Purity/Analytical Methods: >99.0%
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957054-33-0 / 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methanesulfonic acid

Standard CAS: 957054-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957054-33-0
Multi CAS
Yes
Molecular Formula
C25H35N7O9S4
Molecular Weight
705.900000
Exact Mass
705.137910
InChI
InChI=1S/C23H27N7O3S2.2CH4O3S/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;2*1-5(2,3)4/h2-4,13-14H,5-12,15H2,1H3,(H,24,27);2*1H3,(H,2,3,4)
InChIKey
RFRIKACSFOTIMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
13
H-bond donors
3
Molar refractivity
172.17
TPSA
216.29

LogP / Solubility

WLOGP
1.16
MLOGP
1.08
XLogP3
1.16
Consensus LogP
1.13
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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