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CAS 876480-16-9 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 876480-16-9

5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl ester

  • Product code: SSC-197841
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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 876480-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

876480-16-9 / ethyl 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

Standard CAS: 876480-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
876480-16-9
Multi CAS
No
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
InChI
InChI=1S/C11H16N2O2/c1-3-15-11(14)10-8-6-7(2)4-5-9(8)12-13-10/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
AOMGVAPEYCLBKH-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
3
H-bond donors
1
Molar refractivity
55.73
TPSA
54.98

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
2.2
Consensus LogP
1.81
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.78

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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