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CAS 13428-25-6 4,6-Dichloro-5-MethoxypyriMidin-2-aMine molecular structure lightbox
CAS RN: 13428-25-6

4,6-Dichloro-5-MethoxypyriMidin-2-aMine

  • Product code: SSC-041831
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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, 5g
  • 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 13428-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

13428-25-6 / 4,6-dichloro-5-methoxypyrimidin-2-amine

Standard CAS: 13428-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13428-25-6
Multi CAS
No
Molecular Formula
C5H5Cl2N3O
Molecular Weight
194.020000
Exact Mass
192.980967
SMILES
COC1=C(N=C(N=C1Cl)N)Cl
InChI
InChI=1S/C5H5Cl2N3O/c1-11-2-3(6)9-5(8)10-4(2)7/h1H3,(H2,8,9,10)
InChIKey
HJPXRPSGMWLORH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.02
TPSA
61.03

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.43
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-2.93

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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