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CAS 3849-75-0 5-fluoro-1H-indol-3-yl acetate molecular structure lightbox
CAS RN: 3849-75-0

5-fluoro-1H-indol-3-yl acetate

  • Product code: SSC-146141
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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 3849-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3849-75-0 / (5-fluoro-1H-indol-3-yl) acetate

Standard CAS: 3849-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3849-75-0
Multi CAS
No
Molecular Formula
C10FH8NO2
Molecular Weight
193.170000
Exact Mass
193.053907
InChI
InChI=1S/C10H8FNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3
InChIKey
ABECKFCGWNFXJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.57
TPSA
42.09

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.31

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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