CAS RN: 438554-30-4
2(1H)-Pyridinone, 4-hydroxy-6-(1-methylethyl)- (9CI)
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.20251210 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS438554-30-4
- Purity/Analytical Methods: >99.0%
438554-30-4 / 4-hydroxy-6-propan-2-yl-1H-pyridin-2-one
Basic Information
CAS
438554-30-4
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
InChI
InChI=1S/C8H11NO2/c1-5(2)7-3-6(10)4-8(11)9-7/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
XLEZOEKDOLOLSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.82
TPSA
53.09
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.8
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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