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CAS 5744-03-6 Dodecahydrofluorene (mixture of isomers) molecular structure lightbox
CAS RN: 5744-03-6

Dodecahydrofluorene (mixture of isomers)

  • Product code: SSC-165586
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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: 1g
  • 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 5744-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5744-03-6 / 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

Standard CAS: 5744-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5744-03-6
Multi CAS
No
Molecular Formula
C13H22
Molecular Weight
178.310000
Exact Mass
178.172151
InChI
InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2
InChIKey
OLWAZOBRCQWWDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Molar refractivity
55.51
TPSA
0.0000

LogP / Solubility

WLOGP
4
MLOGP
3.52
XLogP3
5.5
Consensus LogP
4.34
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-0.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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