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CAS 526-47-6 2,3-DIMETHYL-5-FLUOROINDOLE molecular structure lightbox
CAS RN: 526-47-6

2,3-DIMETHYL-5-FLUOROINDOLE

  • Product code: SSC-159706
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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 526-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

526-47-6 / 5-fluoro-2,3-dimethyl-1H-indole

Standard CAS: 526-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
526-47-6
Multi CAS
No
Molecular Formula
C10FH10N
Molecular Weight
163.190000
Exact Mass
163.079727
InChI
InChI=1S/C10H10FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKey
PMOQBVDDGHQQEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.73
TPSA
15.79

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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