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CAS 31529-46-1 2-Methylindolin-1-amine molecular structure lightbox
CAS RN: 31529-46-1

2-Methylindolin-1-amine

  • Product code: SSC-136930
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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 31529-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

31529-46-1 / 2-methyl-2,3-dihydroindol-1-amine

Standard CAS: 31529-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31529-46-1
Multi CAS
Yes
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
InChI
InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-5,7H,6,10H2,1H3
InChIKey
YELHZVMLYJGTFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.27
TPSA
29.26

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.8
Consensus LogP
1.42
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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