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CAS 151841-65-5 Aluminium hydroxybis[2,2′-methylen-bis(4,6-di-tert-butylphenyl)phosphate] molecular structure lightbox
CAS RN: 151841-65-5

Aluminium hydroxybis[2,2′-methylen-bis(4,6-di-tert-butylphenyl)phosphate]

  • Product code: SSC-061656
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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: 25g
  • Available purity: ≥95%
  • 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 151841-65-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

151841-65-5 / Aluminium hydroxybis[2,2′-methylen-bis(4,6-di-tert-butylphenyl)phosphate]

Standard CAS: 151841-65-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151841-65-5
Multi CAS
No
Molecular Formula
C58H86AlO9P2
Molecular Weight
1016.200000
Exact Mass
1015.556247
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)O[Al]OP4(=O)OC5=C(CC6=C(O4)C(=CC(=C6)C(C)(C)C)C(C)(C)C)C=C(C=C5C(C)(C)C)C(C)(C)C.O
InChI
InChI=1S/2C29H43O4P.Al.H2O/c2*1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;;/h2*14-17H,13H2,1-12H3,(H,30,31);;1H2/q;;+2;/p-2
InChIKey
MUBYBLSNBCQXCW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
24
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
290.24
TPSA
121.02

LogP / Solubility

WLOGP
16.45
MLOGP
14.57
XLogP3
16.45
Consensus LogP
15.82
Log S (ESOL)
-16.49
Class (ESOL)
Insoluble
Log S (Ali)
-19.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.76

Drug-likeness / Medicinal Chemistry

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

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