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CAS 81103-79-9 FLUORENE-D10 molecular structure lightbox
CAS RN: 81103-79-9

FLUORENE-D10

  • Product code: SSC-189659
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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: ≥98%
  • 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 81103-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

81103-79-9 / 1,2,3,4,5,6,7,8,9,9-decadeuteriofluorene

Standard CAS: 81103-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81103-79-9
Multi CAS
No
Molecular Formula
C13H10
Molecular Weight
176.280000
Exact Mass
176.141018
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D2
InChIKey
NIHNNTQXNPWCJQ-QNNBDYQESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.08
Molar refractivity
54.68
TPSA
0.0000

LogP / Solubility

WLOGP
3.26
MLOGP
2.86
XLogP3
4.2
Consensus LogP
3.44
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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