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CAS 2346-73-8 2-chloro-9-methyl-9H-purine molecular structure lightbox
CAS RN: 2346-73-8

2-chloro-9-methyl-9H-purine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-113306
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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: ＞97%
  • 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 2346-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2346-73-8 / 2-chloro-9-methylpurine

Standard CAS: 2346-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2346-73-8
Multi CAS
No
Molecular Formula
C6H5ClN4
Molecular Weight
168.580000
Exact Mass
168.020274
SMILES
CN1C=NC2=CN=C(N=C21)Cl
InChI
InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
InChIKey
AMVDDOZWEOPXRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
41.31
TPSA
43.6

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.03

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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