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CAS 1198-46-5 2-Chloro-6-methoxypurine molecular structure lightbox
CAS RN: 1198-46-5

2-Chloro-6-methoxypurine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260510 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020546
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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: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1198-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1198-46-5 / 2-chloro-6-methoxy-7H-purine

2-Chloro-6-methoxypurine | 2-chloro-6-methoxy-9H-purine | 2-chloro-6-methoxy-7H-purine

Standard CAS: 1198-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198-46-5
Multi CAS
No
Molecular Formula
C6H5ClN4O
Molecular Weight
184.580000
Exact Mass
184.015189
SMILES
COC1=NC(=NC2=C1NC=N2)Cl
InChI
InChI=1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)
InChIKey
MTDSMFYWSAISJR-UHFFFAOYSA-N
Synonyms
2-Chloro-6-methoxypurine 2-chloro-6-methoxy-9H-purine 2-chloro-6-methoxy-7H-purine 9H-purine, 2-chloro-6-methoxy- MFCD20692004

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.25
TPSA
63.69

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.13

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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