CAS RN: 28128-28-1

8-CHLOROADENINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS28128-28-1
  • Purity/Analytical Methods: >99.0%
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28128-28-1 / 8-chloro-7H-purin-6-amine

Standard CAS: 28128-28-1 Multi CAS: No

Basic Information

CAS
28128-28-1
Multi CAS
No
Molecular Formula
C5H4ClN5
Molecular Weight
169.570000
Exact Mass
169.015523
InChI
InChI=1S/C5H4ClN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChIKey
FBVALAOQISRDRY-UHFFFAOYSA-N

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
0.7
Consensus LogP
0.6
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

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