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CAS 13368-14-4 2-Chloro-6-hydroxypurine molecular structure lightbox
CAS RN: 13368-14-4

2-Chloro-6-hydroxypurine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-040583
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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: 0.1g, 0.25g, 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 13368-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13368-14-4 / 2-chloro-1,7-dihydropurin-6-one

Standard CAS: 13368-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13368-14-4
Multi CAS
No
Molecular Formula
C5H3ClN4O
Molecular Weight
170.560000
Exact Mass
169.999538
SMILES
C1=NC2=C(N1)C(=O)NC(=N2)Cl
InChI
InChI=1S/C5H3ClN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChIKey
WIEATFFSFYPBQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.52
TPSA
74.43

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.6
Consensus LogP
0.39
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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