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CAS 797804-50-3 METHYL 3-FORMYL-1H-INDAZOLE-5-CARBOXYLATE molecular structure lightbox
CAS RN: 797804-50-3

METHYL 3-FORMYL-1H-INDAZOLE-5-CARBOXYLATE

  • Product code: SSC-188865
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 797804-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

797804-50-3 / methyl 3-formyl-2H-indazole-5-carboxylate

Standard CAS: 797804-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
797804-50-3
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)6-2-3-8-7(4-6)9(5-13)12-11-8/h2-5H,1H3,(H,11,12)
InChIKey
ASNIOVVZBFNGJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.82
TPSA
72.05

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

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

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