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CAS 5337-72-4 2,6-Dimethylcyclohexanol (mixture of isomers) molecular structure lightbox
CAS RN: 5337-72-4

2,6-Dimethylcyclohexanol (mixture of isomers)

  • Product code: SSC-160689
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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: 25ml
  • Available purity: ≥99%
  • 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 5337-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥99% 0 Out of Stock Shanghai Inquiry

5337-72-4 / 2,6-dimethylcyclohexan-1-ol

Standard CAS: 5337-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5337-72-4
Multi CAS
No
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3
InChIKey
MOISVRZIQDQVPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.19
TPSA
20.23

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

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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