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CAS 885279-45-8 ETHYL 1H-INDAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 885279-45-8

ETHYL 1H-INDAZOLE-4-CARBOXYLATE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 10g Out of stock Inquiry
Batchno.20250126 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250907 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250214 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS885279-45-8
  • Purity/Analytical Methods: >99.0%
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885279-45-8 / ethyl 1H-indazole-4-carboxylate

Standard CAS: 885279-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885279-45-8
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)7-4-3-5-9-8(7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
ZYDRWPMGDIWCRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.05
TPSA
54.98

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.8
Consensus LogP
1.69
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.65

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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