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CAS 1417519-39-1 2,4-Dichloro-6-(4-tetrahydropyranyl)pyrimidine molecular structure lightbox
CAS RN: 1417519-39-1

2,4-Dichloro-6-(4-tetrahydropyranyl)pyrimidine

  • Product code: SSC-052365
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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, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1417519-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1417519-39-1 / 2,4-dichloro-6-(oxan-4-yl)pyrimidine

Standard CAS: 1417519-39-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1417519-39-1
Multi CAS
No
Molecular Formula
C9H10Cl2N2O
Molecular Weight
233.090000
Exact Mass
232.017018
SMILES
C1COCCC1C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H10Cl2N2O/c10-8-5-7(12-9(11)13-8)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKey
XEABGXMPIACJHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.85
TPSA
35.01

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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