[email protected]
CAS 2394-68-5 ubiquinone 8 molecular structure lightbox
CAS RN: 2394-68-5

ubiquinone 8

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2394-68-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2394-68-5 / 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione

Standard CAS: 2394-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2394-68-5
Multi CAS
No
Molecular Formula
C49H74O4
Molecular Weight
727.100000
Exact Mass
726.558711
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChI
InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3
InChIKey
ICFIZJQGJAJRSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.55
Rotatable bonds
25
H-bond acceptors
4
Molar refractivity
228.74
TPSA
52.6

LogP / Solubility

WLOGP
14.4
MLOGP
12.74
XLogP3
15.7
Consensus LogP
14.28
Log S (ESOL)
-11.77
Class (ESOL)
Insoluble
Log S (Ali)
-15.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.07

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

Customers Also Viewed

Get In Touch

Contact Us