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CAS 944899-01-8 3-Iodo-1H-indazole-5-carbaldehyde molecular structure lightbox
CAS RN: 944899-01-8

3-Iodo-1H-indazole-5-carbaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260328 100mg In stock Shanghai Inquiry
Batchno.20250105 100mg / 250mg / 1g / 10g Out of stock 8-10 business days Inquiry
Batchno.20251025 1g In stock Shanghai Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS944899-01-8
  • Purity/Analytical Methods: >99.0%
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944899-01-8 / 3-iodo-2H-indazole-5-carbaldehyde

Standard CAS: 944899-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944899-01-8
Multi CAS
No
Molecular Formula
C8H5In2O
Molecular Weight
272.040000
Exact Mass
271.944660
InChI
InChI=1S/C8H5IN2O/c9-8-6-3-5(4-12)1-2-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey
STUWJSRMOZCBIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.2
TPSA
45.75

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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