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CAS 854018-76-1 2,5-DiMethyl-4-azaindole molecular structure lightbox
CAS RN: 854018-76-1

2,5-DiMethyl-4-azaindole

  • Product code: SSC-193760
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 854018-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Beijing Inquiry

854018-76-1 / 2,5-dimethyl-1H-pyrrolo[3,2-b]pyridine

Standard CAS: 854018-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854018-76-1
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
InChI
InChI=1S/C9H10N2/c1-6-3-4-8-9(10-6)5-7(2)11-8/h3-5,11H,1-2H3
InChIKey
VUSHNSWLHPCLHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.57
TPSA
28.68

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

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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