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CAS 401462-17-7 9H-Pyrido[3,4-b]indole,1-ethyl-3-methyl-(9CI) molecular structure lightbox
CAS RN: 401462-17-7

9H-Pyrido[3,4-b]indole,1-ethyl-3-methyl-(9CI)

  • Product code: SSC-148137
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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 401462-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

401462-17-7 / 1-ethyl-3-methyl-9H-pyrido[3,4-b]indole

Standard CAS: 401462-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401462-17-7
Multi CAS
No
Molecular Formula
C14H14N2
Molecular Weight
210.270000
Exact Mass
210.115698
InChI
InChI=1S/C14H14N2/c1-3-12-14-11(8-9(2)15-12)10-6-4-5-7-13(10)16-14/h4-8,16H,3H2,1-2H3
InChIKey
YEMMDBJNFUMWTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.71
TPSA
28.68

LogP / Solubility

WLOGP
3.59
MLOGP
3.16
XLogP3
3.5
Consensus LogP
3.42
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.46

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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