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CAS 3073-66-3 1,1,3-Trimethylcyclohexane molecular structure lightbox
CAS RN: 3073-66-3

1,1,3-Trimethylcyclohexane

  • Product code: SSC-135660
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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: 5ml
  • 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 3073-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Shanghai Inquiry

3073-66-3 / 1,1,3-trimethylcyclohexane

Standard CAS: 3073-66-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3073-66-3
Multi CAS
No
Molecular Formula
C9H18
Molecular Weight
126.240000
Exact Mass
126.140851
InChI
InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKey
PYOLJOJPIPCRDP-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Molar refractivity
41.41
TPSA
0.0000

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
4.1
Consensus LogP
3.38
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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