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CAS 32286-99-0 1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE) molecular structure lightbox
CAS RN: 32286-99-0

1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE)

  • Product code: SSC-137842
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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: ＞97%
  • 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 32286-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

32286-99-0 / 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid

Standard CAS: 32286-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32286-99-0
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H2,1H3,(H,12,13)
InChIKey
GRVDRWFCDKSVJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.81
TPSA
55.12

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1.3
Consensus LogP
1.06
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.11

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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