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CAS 1053655-59-6 1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine molecular structure lightbox
CAS RN: 1053655-59-6

1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine

  • Product code: SSC-007098
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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: ＞97%
  • 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 1053655-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1053655-59-6 / 1-(oxan-2-yl)indazol-6-amine

1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine | 1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine | 1-(oxan-2-yl)indazol-6-amine

Standard CAS: 1053655-59-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1053655-59-6
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1CCOC(C1)N2C3=C(C=CC(=C3)N)C=N2
InChI
InChI=1S/C12H15N3O/c13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
InChIKey
BVMGAUOJVUEFSV-UHFFFAOYSA-N
Synonyms
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine 1-(Tetrahydro-pyran-2-yl)-1H-indazol-6-ylamine 1-(oxan-2-yl)indazol-6-amine 6-Amino-1-(tetrahydropyranyl)-1H-indazole 6-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.99
TPSA
53.07

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
1.7
Consensus LogP
2.02
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.4

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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