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CAS 515148-19-3 1H-Indazole-1,3-dicarboxylicacid,1-(1,1-diMethylethyl)ester molecular structure lightbox
CAS RN: 515148-19-3

1H-Indazole-1,3-dicarboxylicacid,1-(1,1-diMethylethyl)ester

  • Product code: SSC-158388
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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 515148-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

515148-19-3 / 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-3-carboxylic acid

Standard CAS: 515148-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
515148-19-3
Multi CAS
No
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
InChI
InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-9-7-5-4-6-8(9)10(14-15)11(16)17/h4-7H,1-3H3,(H,16,17)
InChIKey
YPUHTOPYGFMNGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.32
TPSA
81.42

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

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

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