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CAS 58864-81-6 D-ALPHA-TOCOTRIENOL molecular structure lightbox
CAS RN: 58864-81-6

D-ALPHA-TOCOTRIENOL

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7 package records4 with current stock2 grade groups
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Batchno.20251116 100mg Out of stock Inquiry
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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260412 20mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS58864-81-6
  • Purity/Analytical Methods: >99.0%
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58864-81-6 / 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol

Standard CAS: 58864-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58864-81-6
Multi CAS
Yes
Molecular Formula
C29H44O2
Molecular Weight
424.700000
Exact Mass
424.334131
InChI
InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
InChIKey
RZFHLOLGZPDCHJ-XZXLULOTSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
134.32
TPSA
29.46

LogP / Solubility

WLOGP
8.6
MLOGP
7.6
XLogP3
9.3
Consensus LogP
8.5
Log S (ESOL)
-7.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.64
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)
0.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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