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CAS 87642-29-3 3-PHENYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE molecular structure lightbox
CAS RN: 87642-29-3

3-PHENYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE

  • Product code: SSC-197836
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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 87642-29-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

87642-29-3 / 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Standard CAS: 87642-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87642-29-3
Multi CAS
Yes
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
InChI
InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)
InChIKey
TZFHJMGEXWVRKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.43
TPSA
40.71

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.51
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

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