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CAS 1276056-80-4 3-Bromo-4-chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine molecular structure lightbox
CAS RN: 1276056-80-4

3-Bromo-4-chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-035119
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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 1276056-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1276056-80-4 / 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine

Standard CAS: 1276056-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276056-80-4
Multi CAS
No
Molecular Formula
C6H4BrClN4
Molecular Weight
247.480000
Exact Mass
245.930790
SMILES
CC1=NC2=NNC(=C2C(=N1)Cl)Br
InChI
InChI=1S/C6H4BrClN4/c1-2-9-5(8)3-4(7)11-12-6(3)10-2/h1H3,(H,9,10,11,12)
InChIKey
LZXVEZIBXLYVRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.13
TPSA
54.46

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.6
Consensus LogP
2.17
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

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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