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CAS 1159981-95-9 5-BROMOPYRAZOLO[1,5-A]PYRIMIDINE molecular structure lightbox
CAS RN: 1159981-95-9

5-BROMOPYRAZOLO[1,5-A]PYRIMIDINE

  • Product code: SSC-016006
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g, 100g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159981-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

1159981-95-9 / 5-bromopyrazolo[1,5-a]pyrimidine

5-bromopyrazolo[1,5-a]pyrimidine | DTXSID20670421 | 5-Bromopyrazolo(1,5-a)pyrimidine

Standard CAS: 1159981-95-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159981-95-9
Multi CAS
Yes
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CN2C(=CC=N2)N=C1Br
InChI
InChI=1S/C6H4BrN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey
DIYTVASYDOBYQA-UHFFFAOYSA-N
Synonyms
5-bromopyrazolo[1,5-a]pyrimidine DTXSID20670421 5-Bromopyrazolo(1,5-a)pyrimidine RefChem:302067 DTXCID20621170

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.69
TPSA
30.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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