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CAS 2207-03-6 trans-1,3-Dimethylcyclohexane molecular structure lightbox
CAS RN: 2207-03-6

trans-1,3-Dimethylcyclohexane

  • Product code: SSC-106189
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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: 10ml
  • 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 2207-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ＞95% 0 Out of Stock Beijing Inquiry

2207-03-6 / trans-(1R,3R)-1,3-dimethylcyclohexane

Standard CAS: 2207-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2207-03-6
Multi CAS
No
Molecular Formula
C8H16
Molecular Weight
112.210000
Exact Mass
112.125201
SMILES
C[C@@H]1CCC[C@H](C1)C
InChI
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
SGVUHPSBDNVHKL-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Molar refractivity
36.8
TPSA
0.0000

LogP / Solubility

WLOGP
2.83
MLOGP
2.48
XLogP3
3.8
Consensus LogP
3.04
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-1.39

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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