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CAS 348-32-3 Ethyl-4-Fluoroindole-2-Carboxylate molecular structure lightbox
CAS RN: 348-32-3

Ethyl-4-Fluoroindole-2-Carboxylate

  • Product code: SSC-141412
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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: 0.25g, 1g
  • Available purity: ＞97%
  • 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 348-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

348-32-3 / ethyl 4-fluoro-1H-indole-2-carboxylate

Standard CAS: 348-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
348-32-3
Multi CAS
No
Molecular Formula
C11FH10NO2
Molecular Weight
207.200000
Exact Mass
207.069557
InChI
InChI=1S/C11H10FNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
InChIKey
ODEXIEZAUJDKKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.21
TPSA
42.09

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
3.3
Consensus LogP
2.66
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.22

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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