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CAS 81115-63-1 4-AMino-1H-indazole-3-carboxylic acid molecular structure lightbox
CAS RN: 81115-63-1

4-AMino-1H-indazole-3-carboxylic acid

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 100mg In stock Shanghai Inquiry
Batchno.20250116 1g Out of stock Inquiry
Batchno.20250903 250mg In stock Shanghai Inquiry
Batchno.20251207 50mg In stock Shanghai Inquiry
Batchno.20250224 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS81115-63-1
  • Purity/Analytical Methods: >99.0%
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81115-63-1 / 4-amino-1H-indazole-5-carboxylic acid

Standard CAS: 81115-63-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81115-63-1
Multi CAS
Yes
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
InChI
InChI=1S/C8H7N3O2/c9-7-4(8(12)13)1-2-6-5(7)3-10-11-6/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey
HBADENBPCXQSSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.47
TPSA
92

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.2

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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