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CAS 60934-46-5 (+/-)-ALPHA-TOCOPHEROL PHOSPHATE DISODIUM SALT molecular structure lightbox
CAS RN: 60934-46-5

(+/-)-ALPHA-TOCOPHEROL PHOSPHATE DISODIUM SALT

  • Product code: SSC-169622
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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: 1g
  • 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 60934-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

60934-46-5 / disodium;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] phosphate

Standard CAS: 60934-46-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60934-46-5
Multi CAS
Yes
Molecular Formula
C29H49NA2O5P
Molecular Weight
554.600000
Exact Mass
554.311300
InChI
InChI=1S/C29H51O5P.2Na/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29;;/h20-22H,9-19H2,1-8H3,(H2,30,31,32);;/q;2*+1/p-2/t21-,22-,29-;;/m1../s1
InChIKey
LPWACMVJQSCQOF-RQGAJXLPSA-L

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
14
H-bond acceptors
5
Molar refractivity
140.96
TPSA
81.65

LogP / Solubility

WLOGP
1.35
MLOGP
1.23
XLogP3
1.35
Consensus LogP
1.31
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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