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CAS 69312-43-2 isopropanyl 2,4-dichloropyriMidine-5-carboxylate molecular structure lightbox
CAS RN: 69312-43-2

isopropanyl 2,4-dichloropyriMidine-5-carboxylate

  • Product code: SSC-178947
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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: 25g, 10g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 69312-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 2 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

69312-43-2 / propan-2-yl 2,4-dichloropyrimidine-5-carboxylate

Standard CAS: 69312-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69312-43-2
Multi CAS
No
Molecular Formula
C8H8CL2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
InChI
InChI=1S/C8H8Cl2N2O2/c1-4(2)14-7(13)5-3-11-8(10)12-6(5)9/h3-4H,1-2H3
InChIKey
YRJUHXRUVTWBKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.6
TPSA
52.08

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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