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CAS 152559-30-3 3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 152559-30-3

3-Oxo-1,2,3,4,6,7-hexahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-062341
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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: 5g
  • 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 152559-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

152559-30-3 / tert-butyl 3-oxo-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carboxylate

Standard CAS: 152559-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152559-30-3
Multi CAS
No
Molecular Formula
C11H17N3O3
Molecular Weight
239.270000
Exact Mass
239.126991
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-5-4-8-7(6-14)9(15)13-12-8/h4-6H2,1-3H3,(H2,12,13,15)
InChIKey
DTLXVAXCKABFRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.76
TPSA
78.19

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.47

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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