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CAS 26896-48-0 Tricyclo[5.2.1.02,6]decanedimethanol molecular structure lightbox
CAS RN: 26896-48-0

Tricyclo[5.2.1.02,6]decanedimethanol

  • Product code: SSC-125299
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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: 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 26896-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

26896-48-0 / (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Standard CAS: 26896-48-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26896-48-0
Multi CAS
Yes
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
InChIKey
KGEKLUUHTZCSIP-UHFFFAOYSA-N

Physical Properties

Density
0.981-0.985
Physical Description
Colourless liquid, semicrystaline mass to white crystaline solid; Sweet herbaceous, piney aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.78
TPSA
26.3

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
3.3
Consensus LogP
2.83
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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