CAS RN: 119-98-2
RAC-TOCOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260415 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS119-98-2
- Purity/Analytical Methods: >99.0%
119-98-2 / 2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
Tocol | Desmethyltocopherol | 2-Methyl-2-phytyl-6-chromanol
Basic Information
CAS
119-98-2
Multi CAS
Yes
Molecular Formula
C26H44O2
Molecular Weight
388.600000
Exact Mass
388.334131
SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)O)C
InChI
InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3
InChIKey
DFUSDJMZWQVQSF-UHFFFAOYSA-N
Synonyms
Tocol
Desmethyltocopherol
2-Methyl-2-phytyl-6-chromanol
S2XEE7OB8X
2-Methyl-2-phytyl-6-hydroxychroman
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
120.18
TPSA
29.46
LogP / Solubility
WLOGP
7.92
MLOGP
6.99
XLogP3
9.6
Consensus LogP
8.17
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.2
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)
0.53
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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- Product Code: starshine_CAS1200-13-1
- Purity/Analytical method: >99.0%
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