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CAS 65746-57-8 ethyl 2-(2-phenyl-1H-indol-1-yl)acetate molecular structure lightbox
CAS RN: 65746-57-8

ethyl 2-(2-phenyl-1H-indol-1-yl)acetate

  • Product code: SSC-175396
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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 65746-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

65746-57-8 / ethyl 2-(2-phenylindol-1-yl)acetate

Standard CAS: 65746-57-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65746-57-8
Multi CAS
No
Molecular Formula
C18H17NO2
Molecular Weight
279.300000
Exact Mass
279.125929
InChI
InChI=1S/C18H17NO2/c1-2-21-18(20)13-19-16-11-7-6-10-15(16)12-17(19)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3
InChIKey
CVVURAYNPDJRBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
84.01
TPSA
31.23

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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