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CAS 69227-09-4 Sodium Dodecylbenzenesulfonate (hard type) (mixture) molecular structure lightbox
CAS RN: 69227-09-4

Sodium Dodecylbenzenesulfonate (hard type) (mixture)

  • Product code: SSC-178854
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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 69227-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

69227-09-4 / bis(3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol);bis(3-(2,2-dimethylpropylidene)-4-methylidenecyclohexan-1-ol)

Standard CAS: 69227-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69227-09-4
Multi CAS
No
Molecular Formula
C48H80O4
Molecular Weight
721.100000
Exact Mass
720.605661
InChI
InChI=1S/4C12H20O/c2*1-9-5-6-11(13)7-10(9)8-12(2,3)4;2*1-9-10(8-12(2,3)4)6-5-7-11(9)13/h4*8,11,13H,1,5-7H2,2-4H3
InChIKey
UMDARFJWVLMIOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
226.14
TPSA
80.92

LogP / Solubility

WLOGP
12.24
MLOGP
10.83
XLogP3
12.24
Consensus LogP
11.77
Log S (ESOL)
-12.02
Class (ESOL)
Insoluble
Log S (Ali)
-14.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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