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CAS 612847-09-3 AKT Inhibitor VIII molecular structure lightbox
CAS RN: 612847-09-3

AKT Inhibitor VIII

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250715 100mg Out of stock Inquiry
Batchno.20251202 25mg Out of stock Inquiry
Batchno.20250522 5mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250309 1ml In stock Inquiry
  • Product code: ICTA3153
  • Purity/Analytical Methods: >97.0%(HPLC)
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612847-09-3 / 3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Standard CAS: 612847-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
612847-09-3
Multi CAS
Yes
Molecular Formula
C34H29N7O
Molecular Weight
551.600000
Exact Mass
551.243359
InChI
InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25,38H,14-17,20H2,(H,39,42)
InChIKey
IWCQHVUQEFDRIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
34
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
166.17
TPSA
95.49

LogP / Solubility

WLOGP
6.32
MLOGP
5.6
XLogP3
4.3
Consensus LogP
5.41
Log S (ESOL)
-7.51
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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