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CAS 1423716-54-4 6,6-Dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1423716-54-4

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

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260507 1g Out of stock Inquiry
Batchno.20260408 250mg Out of stock Inquiry
  • Product code: SSC-053243
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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 1423716-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1423716-54-4 / ethyl 6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxylate

Standard CAS: 1423716-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1423716-54-4
Multi CAS
No
Molecular Formula
C12H18N2O2
Molecular Weight
222.280000
Exact Mass
222.136828
SMILES
CCOC(=O)C1=NNC2=C1CCC(C2)(C)C
InChI
InChI=1S/C12H18N2O2/c1-4-16-11(15)10-8-5-6-12(2,3)7-9(8)13-14-10/h4-7H2,1-3H3,(H,13,14)
InChIKey
JTFYBRYMPBDWKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.35
TPSA
54.98

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.8
Consensus LogP
2.25
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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