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CAS 1273315-11-9 2-Chloro-9-methyl-7H-purin-8(9H)-one molecular structure lightbox
CAS RN: 1273315-11-9

2-Chloro-9-methyl-7H-purin-8(9H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-034849
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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: ≥95%
  • Inventory rows with stock: 1
  • 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 1273315-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1273315-11-9 / 2-chloro-9-methyl-7H-purin-8-one

Standard CAS: 1273315-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1273315-11-9
Multi CAS
No
Molecular Formula
C6H5ClN4O
Molecular Weight
184.580000
Exact Mass
184.015189
SMILES
CN1C2=NC(=NC=C2NC1=O)Cl
InChI
InChI=1S/C6H5ClN4O/c1-11-4-3(9-6(11)12)2-8-5(7)10-4/h2H,1H3,(H,9,12)
InChIKey
ZZUVVSFIAPUPAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.14
TPSA
63.57

LogP / Solubility

WLOGP
0.31
MLOGP
0.27
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.63

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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