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CAS 1159511-31-5 1H-Indazole-4-MethanaMine, a-Methyl- molecular structure lightbox
CAS RN: 1159511-31-5

1H-Indazole-4-MethanaMine, a-Methyl-

  • Product code: SSC-015758
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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 1159511-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1159511-31-5 / 1-(1H-indazol-4-yl)ethanamine

1-(1H-Indazol-4-yl)ethanamine | MFCD11869774 | 4-(1-Aminoethyl)-1H-indazole

Standard CAS: 1159511-31-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159511-31-5
Multi CAS
No
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
SMILES
CC(C1=C2C=NNC2=CC=C1)N
InChI
InChI=1S/C9H11N3/c1-6(10)7-3-2-4-9-8(7)5-11-12-9/h2-6H,10H2,1H3,(H,11,12)
InChIKey
PZHSBPNNDBCETB-UHFFFAOYSA-N
Synonyms
1-(1H-Indazol-4-yl)ethanamine MFCD11869774 4-(1-Aminoethyl)-1H-indazole 1-(1H-Indazol-4-yl)ethan-1-amine 1H-Indazole-4-methanamine, a-methyl-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.7
TPSA
54.7

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
0.8
Consensus LogP
1.26
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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