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CAS 36779-16-5 ETHYL 2-PHENYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 36779-16-5

ETHYL 2-PHENYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE

  • Product code: SSC-144010
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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 36779-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

36779-16-5 / ethyl 2-phenyl-1H-indole-3-carboxylate

Standard CAS: 36779-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36779-16-5
Multi CAS
Yes
Molecular Formula
C17H15NO2
Molecular Weight
265.310000
Exact Mass
265.110279
InChI
InChI=1S/C17H15NO2/c1-2-20-17(19)15-13-10-6-7-11-14(13)18-16(15)12-8-4-3-5-9-12/h3-11,18H,2H2,1H3
InChIKey
PBOQSTKVCGVNDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.69
TPSA
42.09

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
3.9
Consensus LogP
3.82
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-1.49

Drug-likeness / Medicinal Chemistry

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

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