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CAS 845959-50-4 Mitoquinone mesylate molecular structure lightbox
CAS RN: 845959-50-4

Mitoquinone mesylate

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7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 100mg In stock Shanghai Inquiry
Batchno.20260425 10mg In stock Shanghai Inquiry
Batchno.20250523 1mg / 5mg / 10mg / 50mg Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
Batchno.20250722 250mg Out of stock Inquiry
Batchno.20250616 25mg In stock Shanghai Inquiry
Batchno.20251214 50mg Out of stock Inquiry
Batchno.20250125 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS845959-50-4
  • Purity/Analytical Methods: >99.0%
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845959-50-4 / 10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;methanesulfonate

Standard CAS: 845959-50-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
845959-50-4
Multi CAS
Yes
Molecular Formula
C38H47O7PS
Molecular Weight
678.800000
Exact Mass
678.278012
InChI
InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
GVZFUVXPTPGOQT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
190.95
TPSA
109.8

LogP / Solubility

WLOGP
6.63
MLOGP
5.89
XLogP3
6.63
Consensus LogP
6.38
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-9.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.49
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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