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CAS 608510-47-0 Pactimibe sulfate molecular structure lightbox
CAS RN: 608510-47-0

Pactimibe sulfate

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 10mg In stock Shanghai Inquiry
Batchno.20250313 1mg Out of stock Inquiry
Batchno.20251224 25mg In stock Shanghai Inquiry
Batchno.20251117 50mg Out of stock Inquiry
Batchno.20250530 5mg Out of stock Inquiry
  • Product code: starshine_CAS608510-47-0
  • Purity/Analytical Methods: >99.0%
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608510-47-0 / 2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid;sulfuric acid

Standard CAS: 608510-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
608510-47-0
Multi CAS
Yes
Molecular Formula
C25H42N2O7S
Molecular Weight
514.700000
Exact Mass
514.271273
InChI
InChI=1S/2C25H40N2O3.H2O4S/c2*1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6;1-5(2,3)4/h2*7-16H2,1-6H3,(H,26,30)(H,28,29);(H2,1,2,3,4)
InChIKey
MKJQESRCXYYHFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
138.81
TPSA
144.24

LogP / Solubility

WLOGP
4.99
MLOGP
4.42
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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