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CAS 171827-50-2 ETHYL 2-(2,6-DICHLORO-9H-PURIN-9-YL)ACETATE molecular structure lightbox
CAS RN: 171827-50-2

ETHYL 2-(2,6-DICHLORO-9H-PURIN-9-YL)ACETATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-075619
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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 171827-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

171827-50-2 / ethyl 2-(2,6-dichloropurin-9-yl)acetate

Standard CAS: 171827-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
171827-50-2
Multi CAS
No
Molecular Formula
C9H8Cl2N4O2
Molecular Weight
275.090000
Exact Mass
274.002431
SMILES
CCOC(=O)CN1C=NC2=C1N=C(N=C2Cl)Cl
InChI
InChI=1S/C9H8Cl2N4O2/c1-2-17-5(16)3-15-4-12-6-7(10)13-9(11)14-8(6)15/h4H,2-3H2,1H3
InChIKey
CTFNNRKKJAICKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
61.98
TPSA
69.9

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2.4
Consensus LogP
1.87
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

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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