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CAS 1359655-90-5 3-Cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1359655-90-5

3-Cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

  • Product code: SSC-044528
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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 1359655-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1359655-90-5 / 3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

Standard CAS: 1359655-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1359655-90-5
Multi CAS
No
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
SMILES
C1CC1C2=NNC3=C2CC(CC3)C(=O)O
InChI
InChI=1S/C11H14N2O2/c14-11(15)7-3-4-9-8(5-7)10(13-12-9)6-1-2-6/h6-7H,1-5H2,(H,12,13)(H,14,15)
InChIKey
TYEOMDHABVENDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.71
TPSA
65.98

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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