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CAS 163119-16-2 2,6-Bis-tert-butyl-4-methylcyclohexanol molecular structure lightbox
CAS RN: 163119-16-2

2,6-Bis-tert-butyl-4-methylcyclohexanol

  • Product code: SSC-070824
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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: 5g, 10g, 25g, 100g
  • 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 163119-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

163119-16-2 / 2,6-ditert-butyl-4-methylcyclohexan-1-ol

Standard CAS: 163119-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
163119-16-2
Multi CAS
No
Molecular Formula
C15H30O
Molecular Weight
226.400000
Exact Mass
226.229666
SMILES
CC1CC(C(C(C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C15H30O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h10-13,16H,8-9H2,1-7H3
InChIKey
OIXQKWDQCODZGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.29
TPSA
20.23

LogP / Solubility

WLOGP
4.1
MLOGP
3.61
XLogP3
4.9
Consensus LogP
4.2
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

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)
-1.19

Drug-likeness / Medicinal Chemistry

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

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