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CAS 56025-89-9 6-AMINO-7-BENZYL-2-CHLOROPURINE molecular structure lightbox
CAS RN: 56025-89-9

6-AMINO-7-BENZYL-2-CHLOROPURINE

  • Product code: SSC-164001
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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 56025-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

56025-89-9 / 7-benzyl-2-chloropurin-6-amine

Standard CAS: 56025-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56025-89-9
Multi CAS
No
Molecular Formula
C12H10CLN5
Molecular Weight
259.690000
Exact Mass
259.062473
InChI
InChI=1S/C12H10ClN5/c13-12-16-10(14)9-11(17-12)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey
YRLFBWHEVKVQSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.29
TPSA
69.62

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

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

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