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CAS 1221288-28-3 (1-methylpyrazolo[3,4-b]pyridin-5-yl)methanol molecular structure lightbox
CAS RN: 1221288-28-3

(1-methylpyrazolo[3,4-b]pyridin-5-yl)methanol

  • Product code: SSC-025086
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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 1221288-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1221288-28-3 / (1-methylpyrazolo[5,4-b]pyridin-5-yl)methanol

Standard CAS: 1221288-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221288-28-3
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
SMILES
CN1C2=C(C=C(C=N2)CO)C=N1
InChI
InChI=1S/C8H9N3O/c1-11-8-7(4-10-11)2-6(5-12)3-9-8/h2-4,12H,5H2,1H3
InChIKey
RASCLUNPZHSAMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.43
TPSA
50.94

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-0.1
Consensus LogP
0.25
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.39

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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