CAS RN: 851985-99-4
6-hydroxy-5-methoxy-2-methyl-4(3H)-Pyrimidinone
- Product code: SSC-193433
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
851985-99-4 / 4-hydroxy-5-methoxy-2-methyl-1H-pyrimidin-6-one
Basic Information
CAS
851985-99-4
Multi CAS
Yes
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
InChI
InChI=1S/C6H8N2O3/c1-3-7-5(9)4(11-2)6(10)8-3/h1-2H3,(H2,7,8,9,10)
InChIKey
KHNRACJEMJPQRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.81
TPSA
75.21
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.19
XLogP3
-0.7
Consensus LogP
-0.37
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
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)
-3.82
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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![CAS 852042-07-0 (-)-6,6′-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin],min.95%(S,S)-Chiraphite molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852042-07-0.gif)
