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CAS 851652-52-3 6-AMINO (1H)INDAZOLE-3-METHYLCARBOXYLATE molecular structure lightbox
CAS RN: 851652-52-3

6-AMINO (1H)INDAZOLE-3-METHYLCARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS851652-52-3
  • Purity/Analytical Methods: >99.0%
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851652-52-3 / methyl 6-amino-1H-indazole-3-carboxylate

Standard CAS: 851652-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
851652-52-3
Multi CAS
Yes
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)8-6-3-2-5(10)4-7(6)11-12-8/h2-4H,10H2,1H3,(H,11,12)
InChIKey
MAHOTWJZRCUWPM-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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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