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CAS 1355171-29-7 2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid benzyl ester molecular structure lightbox
CAS RN: 1355171-29-7

2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid benzyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-044024
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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 1355171-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1355171-29-7 / benzyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate

Standard CAS: 1355171-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1355171-29-7
Multi CAS
No
Molecular Formula
C14H15N3O2
Molecular Weight
257.290000
Exact Mass
257.116427
SMILES
C1CN(CC2=C1NN=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O2/c18-14(19-10-11-4-2-1-3-5-11)17-7-6-13-12(9-17)8-15-16-13/h1-5,8H,6-7,9-10H2,(H,15,16)
InChIKey
LQYVAXIQTIQDEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.33
TPSA
58.22

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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