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CAS 51898-34-1 (±)-α-Tocopherol nicotinate molecular structure lightbox
CAS RN: 51898-34-1

(±)-α-Tocopherol nicotinate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250527 100g In stock Inquiry
Batchno.20260610 25g In stock Inquiry
Batchno.20250822 5g In stock Inquiry
  • Product code: SSC-158905
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51898-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

51898-34-1 / [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate

Standard CAS: 51898-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51898-34-1
Multi CAS
Yes
Molecular Formula
C35H53NO3
Molecular Weight
535.800000
Exact Mass
535.402545
InChI
InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
InChIKey
MSCCTZZBYHQMQJ-AZAGJHQNSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
161.92
TPSA
48.42

LogP / Solubility

WLOGP
9.75
MLOGP
8.62
XLogP3
11.4
Consensus LogP
9.92
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-10.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.93

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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