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CAS 54680-48-7 Isostearic Acid (=2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid) molecular structure lightbox
CAS RN: 54680-48-7

Isostearic Acid (=2,2,4,8,10,10-Hexamethylundecane-5-carboxylic Acid)

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 100g In stock Shanghai Inquiry
Batchno.20250623 10g In stock Shanghai Inquiry
Batchno.20260529 1kg In stock Shanghai Inquiry
Batchno.20260620 25g In stock Shanghai Inquiry
Batchno.20250511 500g In stock Shanghai Inquiry
  • Product code: SSC-162491
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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: 10g, 25g, 100g, 500g
  • Available purity: >90%
  • 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 54680-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >90% 0 Out of Stock Beijing Inquiry
25g >90% 0 Out of Stock Beijing Inquiry
100g >90% 0 Out of Stock Beijing Inquiry
500g >90% 0 Out of Stock Beijing Inquiry

54680-48-7 / 2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctanoic acid

Standard CAS: 54680-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54680-48-7
Multi CAS
Yes
Molecular Formula
C18H36O2
Molecular Weight
284.500000
Exact Mass
284.271530
InChI
InChI=1S/C18H36O2/c1-13(11-17(3,4)5)9-10-15(16(19)20)14(2)12-18(6,7)8/h13-15H,9-12H2,1-8H3,(H,19,20)
InChIKey
QBTIHZIVENIGSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.83
TPSA
37.3

LogP / Solubility

WLOGP
5.61
MLOGP
4.95
XLogP3
6.8
Consensus LogP
5.79
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.01
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
No
Log Kp (skin permeation)
-0.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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