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CAS 65880-18-4 ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 65880-18-4

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

  • Product code: SSC-175504
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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: ≥98%
  • 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 65880-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

65880-18-4 / ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Standard CAS: 65880-18-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65880-18-4
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h7,12H,2-6H2,1H3
InChIKey
LOSQSLWRXZTVTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.39
TPSA
42.09

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.5
Consensus LogP
2.13
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.43

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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