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CAS 100644-65-3 4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE molecular structure lightbox
CAS RN: 100644-65-3

4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260626 10g In stock Shanghai Inquiry
Batchno.20260304 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260204 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260109 25g Out of stock Inquiry
Batchno.20260302 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-001278
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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, 0.25g, 5g, 10g
  • 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 100644-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

100644-65-3 / 4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine | DTXSID90472777 | 4-chloro-1H-pyrazolo(3,4-d)pyrimidin-6-amine

Standard CAS: 100644-65-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100644-65-3
Multi CAS
No
Molecular Formula
C5H4ClN5
Molecular Weight
169.570000
Exact Mass
169.015523
SMILES
C1=NNC2=C1C(=NC(=N2)N)Cl
InChI
InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)
InChIKey
ASKOHPBJRRSUSJ-UHFFFAOYSA-N
Synonyms
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine DTXSID90472777 4-chloro-1H-pyrazolo(3,4-d)pyrimidin-6-amine RefChem:291335 DTXCID80423591

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.11
TPSA
80.48

LogP / Solubility

WLOGP
0.59
MLOGP
0.51
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral] H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501

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