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CAS 885271-81-8 5-METHOXY-1H-INDAZOL-3-YL-METHYLAMINE molecular structure lightbox
CAS RN: 885271-81-8

5-METHOXY-1H-INDAZOL-3-YL-METHYLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS885271-81-8
  • Purity/Analytical Methods: >99.0%
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885271-81-8 / 5-methoxy-N-methyl-1H-indazol-3-amine

Standard CAS: 885271-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885271-81-8
Multi CAS
Yes
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c1-13-6-2-3-8-7(4-6)9(5-10)12-11-8/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
NPTNSGBJBPDCOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.19
TPSA
49.94

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.66

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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