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CAS 5027-78-1 2-(1H-INDOL-3-YL)-2-PHENYL-ETHYLAMINE molecular structure lightbox
CAS RN: 5027-78-1

2-(1H-INDOL-3-YL)-2-PHENYL-ETHYLAMINE

  • Product code: SSC-156714
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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 5027-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5027-78-1 / 2-(1H-indol-3-yl)-2-phenylethanamine

Standard CAS: 5027-78-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5027-78-1
Multi CAS
Yes
Molecular Formula
C16H16N2
Molecular Weight
236.310000
Exact Mass
236.131349
InChI
InChI=1S/C16H16N2/c17-10-14(12-6-2-1-3-7-12)15-11-18-16-9-5-4-8-13(15)16/h1-9,11,14,18H,10,17H2
InChIKey
HEBVBIGUNHPPLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
75.64
TPSA
41.81

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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