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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
943995-31-1 / 4-amino-2-chloropyrimidin-5-ol
Basic Information
CAS
943995-31-1
Multi CAS
No
Molecular Formula
C4H4CLN3O
Molecular Weight
145.550000
Exact Mass
145.004290
InChI
InChI=1S/C4H4ClN3O/c5-4-7-1-2(9)3(6)8-4/h1,9H,(H2,6,7,8)
InChIKey
VNMOXVXRYNMFCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.12
TPSA
72.03
LogP / Solubility
WLOGP
0.42
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.43
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
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)
-3.31
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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