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CAS 1642333-05-8 22-(tert-Butoxy)-22-oxodocosanoic acid molecular structure lightbox
CAS RN: 1642333-05-8

22-(tert-Butoxy)-22-oxodocosanoic acid

  • Product code: SSC-071682
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ＞98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1642333-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞98% 1 In Stock Beijing Inquiry
5g ＞98% 1 In Stock Shanghai Inquiry
10g ＞98% 1 In Stock Beijing Inquiry
25g ＞98% 1 In Stock Beijing Inquiry
100g ＞98% 1 In Stock Hong Kong Inquiry

1642333-05-8 / 22-[(2-methylpropan-2-yl)oxy]-22-oxodocosanoic acid

Standard CAS: 1642333-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1642333-05-8
Multi CAS
No
Molecular Formula
C26H50O4
Molecular Weight
426.700000
Exact Mass
426.370910
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H50O4/c1-26(2,3)30-25(29)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(27)28/h4-23H2,1-3H3,(H,27,28)
InChIKey
OXPWLSZVTHVKQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.92
Rotatable bonds
21
H-bond acceptors
3
H-bond donors
1
Molar refractivity
125.82
TPSA
63.6

LogP / Solubility

WLOGP
8.21
MLOGP
7.26
XLogP3
9.9
Consensus LogP
8.46
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-8.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.77
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)
0.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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