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CAS 319-69-7 (5-fluoro-1H-indol-3-yl)acetic acid ethyl ester molecular structure lightbox
CAS RN: 319-69-7

(5-fluoro-1H-indol-3-yl)acetic acid ethyl ester

  • Product code: SSC-137350
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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 319-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

319-69-7 / ethyl 2-(5-fluoro-1H-indol-3-yl)acetate

Standard CAS: 319-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
319-69-7
Multi CAS
No
Molecular Formula
C12FH12NO2
Molecular Weight
221.230000
Exact Mass
221.085207
InChI
InChI=1S/C12H12FNO2/c1-2-16-12(15)5-8-7-14-11-4-3-9(13)6-10(8)11/h3-4,6-7,14H,2,5H2,1H3
InChIKey
FYNLEVUFIFSEEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.59
TPSA
42.09

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

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