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CAS 1279865-95-0 Methyl 3-amino-1H-indazole-6-carboxylate molecular structure lightbox
CAS RN: 1279865-95-0

Methyl 3-amino-1H-indazole-6-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1279865-95-0
  • Purity/Analytical Methods: >99.0%
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1279865-95-0 / methyl 3-amino-1H-indazole-6-carboxylate

Standard CAS: 1279865-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1279865-95-0
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
COC(=O)C1=CC2=C(C=C1)C(=NN2)N
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)5-2-3-6-7(4-5)11-12-8(6)10/h2-4H,1H3,(H3,10,11,12)
InChIKey
JBNDPDJGDUNATA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.85
TPSA
81

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

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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