CAS RN: 4330-20-5
N3-benzoylthymine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250711 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4330-20-5
- Purity/Analytical Methods: >99.0%
4330-20-5 / 3-benzoyl-5-methyl-1H-pyrimidine-2,4-dione
Basic Information
CAS
4330-20-5
Multi CAS
No
Molecular Formula
C12H10N2O3
Molecular Weight
230.220000
Exact Mass
230.069142
InChI
InChI=1S/C12H10N2O3/c1-8-7-13-12(17)14(10(8)15)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKey
FCQCLMZIGUFTQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.23
TPSA
71.93
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.9
Consensus LogP
0.63
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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