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CAS 802909-72-4 Dehydro-δ-tocopherol molecular structure lightbox
CAS RN: 802909-72-4

Dehydro-δ-tocopherol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS802909-72-4
  • Purity/Analytical Methods: >99.0%
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802909-72-4 / (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol

Standard CAS: 802909-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
802909-72-4
Multi CAS
Yes
Molecular Formula
C27H44O2
Molecular Weight
400.600000
Exact Mass
400.334131
InChI
InChI=1S/C27H44O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h15,17-22,28H,7-14,16H2,1-6H3
InChIKey
FEGYJQTVMVOWKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
125.63
TPSA
29.46

LogP / Solubility

WLOGP
8.3
MLOGP
7.33
XLogP3
9.9
Consensus LogP
8.51
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.6
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)
0.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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