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CAS 1206984-55-5 methyl 3-bromo-1H-pyrazolo[3,4-c]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 1206984-55-5

methyl 3-bromo-1H-pyrazolo[3,4-c]pyridine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-021853
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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 1206984-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1206984-55-5 / methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

methyl 3-bromo-1H-pyrazolo[3,4-c]pyridine-5-carboxylate | MFCD22549637 | methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

Standard CAS: 1206984-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206984-55-5
Multi CAS
No
Molecular Formula
C8H6BrN3O2
Molecular Weight
256.060000
Exact Mass
254.964340
SMILES
COC(=O)C1=CC2=C(NN=C2C=N1)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)5-2-4-6(3-10-5)11-12-7(4)9/h2-3H,1H3,(H,11,12)
InChIKey
VYWPYTUULPRYPW-UHFFFAOYSA-N
Synonyms
methyl 3-bromo-1H-pyrazolo[3,4-c]pyridine-5-carboxylate MFCD22549637 methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate SB15886 PS-16931

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.93
TPSA
67.87

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.21

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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