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CAS 53406-41-0 2-methyl-1H-Indol-1-amine molecular structure lightbox
CAS RN: 53406-41-0

2-methyl-1H-Indol-1-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS53406-41-0
  • Purity/Analytical Methods: >99.0%
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53406-41-0 / 2-methylindol-1-amine

Standard CAS: 53406-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53406-41-0
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
InChI
InChI=1S/C9H10N2/c1-7-6-8-4-2-3-5-9(8)11(7)10/h2-6H,10H2,1H3
InChIKey
ZVEGQLNQUKGLNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.83
TPSA
30.95

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
2.6
Consensus LogP
1.91
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-2.43

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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