CAS RN: 84659-98-3
6-hydroxy-2-phenylpyriMidine-4-carboxylic acid
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.20250602 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84659-98-3
- Purity/Analytical Methods: >99.0%
84659-98-3 / 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
Basic Information
CAS
84659-98-3
Multi CAS
Yes
Molecular Formula
C11H8N2O3
Molecular Weight
216.190000
Exact Mass
216.053492
InChI
InChI=1S/C11H8N2O3/c14-9-6-8(11(15)16)12-10(13-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKey
SNFPSSBYDIFPOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.25
TPSA
83.05
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.7
Consensus LogP
0.95
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
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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