CAS RN: 161057-93-8
Pirfenidone Impurity 4
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.20260406 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS161057-93-8
- Purity/Analytical Methods: >99.0%
161057-93-8 / 4-methyl-1-phenylpyridin-2-one
Basic Information
CAS
161057-93-8
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
CC1=CC(=O)N(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NO/c1-10-7-8-13(12(14)9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
LPZWUECCZRSOAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.78
TPSA
22
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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