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CAS 1159829-63-6 1H-Pyrazolo[4,3-c]pyridine, 4-broMo- molecular structure lightbox
CAS RN: 1159829-63-6

1H-Pyrazolo[4,3-c]pyridine, 4-broMo-

  • Product code: SSC-015955
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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 1159829-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1159829-63-6 / 4-bromo-1H-pyrazolo[4,5-c]pyridine

4-Bromo-1H-pyrazolo[4,3-c]pyridine | DTXSID70745411 | 4-Bromo-1H-pyrazolo(4,3-c)pyridine

Standard CAS: 1159829-63-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159829-63-6
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CN=C(C2=C1NN=C2)Br
InChI
InChI=1S/C6H4BrN3/c7-6-4-3-9-10-5(4)1-2-8-6/h1-3H,(H,9,10)
InChIKey
OPTKCRUGKAZNCI-UHFFFAOYSA-N
Synonyms
4-Bromo-1H-pyrazolo[4,3-c]pyridine DTXSID70745411 4-Bromo-1H-pyrazolo(4,3-c)pyridine RefChem:290541 DTXCID10696155

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.59
TPSA
41.57

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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