CAS RN: 1616526-82-9
5-HydroxypyriMidin-4(3H)-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1616526-82-9
- Purity/Analytical Methods: >99.0%
1616526-82-9 / 5-hydroxy-1H-pyrimidin-6-one;hydrochloride
Basic Information
CAS
1616526-82-9
Multi CAS
No
Molecular Formula
C4H5ClN2O2
Molecular Weight
148.550000
Exact Mass
148.003955
SMILES
C1=C(C(=O)NC=N1)O.Cl
InChI
InChI=1S/C4H4N2O2.ClH/c7-3-1-5-2-6-4(3)8;/h1-2,7H,(H,5,6,8);1H
InChIKey
LRJXOAASQIHMRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.77
TPSA
65.98
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-3.7
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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