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CAS 1031927-24-8 3-Amino-6-methoxy-1-methyl-1H-indazole molecular structure lightbox
CAS RN: 1031927-24-8

3-Amino-6-methoxy-1-methyl-1H-indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1031927-24-8
  • Purity/Analytical Methods: >99.0%
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1031927-24-8 / 6-methoxy-1-methylindazol-3-amine

6-Methoxy-1-methyl-1H-indazol-3-amine | 3-Amino-6-methoxy-1-methyl-1H-indazole | 6-methoxy-1-methylindazol-3-amine

Standard CAS: 1031927-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1031927-24-8
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
SMILES
CN1C2=C(C=CC(=C2)OC)C(=N1)N
InChI
InChI=1S/C9H11N3O/c1-12-8-5-6(13-2)3-4-7(8)9(10)11-12/h3-5H,1-2H3,(H2,10,11)
InChIKey
CXHKBOGVQFHMCG-UHFFFAOYSA-N
Synonyms
6-Methoxy-1-methyl-1H-indazol-3-amine 3-Amino-6-methoxy-1-methyl-1H-indazole 6-methoxy-1-methylindazol-3-amine MFCD09998750 SCHEMBL13899522

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.68
TPSA
53.07

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.97

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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