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CAS 190654-80-9 2,6-dichloro-7-ethyl-7H-purine molecular structure lightbox
CAS RN: 190654-80-9

2,6-dichloro-7-ethyl-7H-purine

  • Product code: SSC-089239
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 190654-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry

190654-80-9 / 2,6-dichloro-7-ethylpurine

Standard CAS: 190654-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190654-80-9
Multi CAS
No
Molecular Formula
C7H6Cl2N4
Molecular Weight
217.050000
Exact Mass
215.996952
SMILES
CCN1C=NC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H6Cl2N4/c1-2-13-3-10-6-4(13)5(8)11-7(9)12-6/h3H,2H2,1H3
InChIKey
OXRKNOIREWJPSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.02
TPSA
43.6

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.52

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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