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CAS 90914-41-3 3-BROMO-4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE molecular structure lightbox
CAS RN: 90914-41-3

3-BROMO-4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 1g / 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250608 100g In stock Shanghai Inquiry
Batchno.20260517 10g In stock Shanghai Inquiry
Batchno.20250926 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250216 25g In stock Shanghai Inquiry
Batchno.20260319 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-203624
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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: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 90914-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

90914-41-3 / 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine

Standard CAS: 90914-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90914-41-3
Multi CAS
No
Molecular Formula
C5H2BRCLN4
Molecular Weight
233.450000
Exact Mass
231.915140
InChI
InChI=1S/C5H2BrClN4/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H,8,9,10,11)
InChIKey
MDFHFCAMBZNSLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
54.46

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.2
Consensus LogP
1.84
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.89

Drug-likeness / Medicinal Chemistry

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

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