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CAS 1363173-34-5 1-Methyl-1H-indazole-3-carboxylic Acid Anhydride molecular structure lightbox
CAS RN: 1363173-34-5

1-Methyl-1H-indazole-3-carboxylic Acid Anhydride

  • Product code: SSC-045247
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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: 0.25g
  • 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 1363173-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1363173-34-5 / (1-methylindazole-3-carbonyl) 1-methylindazole-3-carboxylate

Standard CAS: 1363173-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363173-34-5
Multi CAS
No
Molecular Formula
C18H14N4O3
Molecular Weight
334.300000
Exact Mass
334.106590
SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)OC(=O)C3=NN(C4=CC=CC=C43)C
InChI
InChI=1S/C18H14N4O3/c1-21-13-9-5-3-7-11(13)15(19-21)17(23)25-18(24)16-12-8-4-6-10-14(12)22(2)20-16/h3-10H,1-2H3
InChIKey
WXKUAYVKUKAIQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
91.17
TPSA
79.01

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
3.2
Consensus LogP
2.61
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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