[email protected]
CAS 113892-08-3 α-Tocopherol-[D6] (Vitamin E-[D6]) molecular structure lightbox
CAS RN: 113892-08-3

α-Tocopherol-[D6] (Vitamin E-[D6])

  • Product code: SSC-013867
GET A QUOTE
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: 0.01g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 113892-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g ≥95% 0 Out of Stock Shenzhen Inquiry

113892-08-3 / (2R)-2,8-dimethyl-5,7-bis(trideuteriomethyl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol

DL-ALPHA-TOCOPHEROL | Ephanyl | alpha-Tocopherol, DL-

Standard CAS: 113892-08-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113892-08-3
Multi CAS
Yes
Molecular Formula
C29H50O2
Molecular Weight
436.700000
Exact Mass
436.418741
SMILES
[2H]C([2H])([2H])C1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C([2H])([2H])[2H])C
InChI
InChI=1S/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1/i5D3,7D3
InChIKey
GVJHHUAWPYXKBD-BCHQTGRQSA-N
Synonyms
DL-ALPHA-TOCOPHEROL Ephanyl alpha-Tocopherol, DL- Vitamin E DL-alpha dl-.alpha.-Tocopherol

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
134.39
TPSA
29.46

LogP / Solubility

WLOGP
8.84
MLOGP
7.81
XLogP3
10.7
Consensus LogP
9.12
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
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)
0.93

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us