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CAS 1433990-11-4 ethyl 6,6-difluoro-4,5,6,7-tetrahydro-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 1433990-11-4

ethyl 6,6-difluoro-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

  • Product code: SSC-054783
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1433990-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

1433990-11-4 / ethyl 6,6-difluoro-1,4,5,7-tetrahydroindole-2-carboxylate

Standard CAS: 1433990-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1433990-11-4
Multi CAS
No
Molecular Formula
C11H13F2NO2
Molecular Weight
229.220000
Exact Mass
229.091435
SMILES
CCOC(=O)C1=CC2=C(N1)CC(CC2)(F)F
InChI
InChI=1S/C11H13F2NO2/c1-2-16-10(15)8-5-7-3-4-11(12,13)6-9(7)14-8/h5,14H,2-4,6H2,1H3
InChIKey
FFJQVVVQGHPWHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.72
TPSA
42.09

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

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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