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: 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 4
- 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.
38353-09-2 / 1H-pyrimidin-2-one;hydrochloride
Basic Information
CAS
38353-09-2
Multi CAS
Yes
Molecular Formula
C4H5CLN2O
Molecular Weight
132.550000
Exact Mass
132.009041
InChI
InChI=1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKey
IAJINJSFYTZPEJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Yellow crystalline powder; Hygroscopic
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.11
TPSA
45.75
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.39
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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- Product Code: SSC-201365
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