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, 1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
150943-50-3 / 4-chloro-5-nitropyrimidine
Basic Information
CAS
150943-50-3
Multi CAS
No
Molecular Formula
C4H2ClN3O2
Molecular Weight
159.530000
Exact Mass
158.983554
SMILES
C1=C(C(=NC=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H2ClN3O2/c5-4-3(8(9)10)1-6-2-7-4/h1-2H
InChIKey
CPLTUVUVJVLHMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
33.7
TPSA
68.92
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 150971-35-0 Phosphine, (6,6′-dimethoxy[1,1′-biphenyl]-2,2′-diyl)bis[bis[3,5-bis(trimethylsilyl)phenyl]-, (R)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150971-35-0.gif)
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